9844057 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 9 7 7 7 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 5 5 6 6 7 7 7 8 8 8 8 9 9 9 10 10 10 11 11 12 12 13 13 14 14 15 15 15 16 16 18 19 19 20 21 22 22 23 23 24 24 25 25 26 26 27 27 28 30 11 12 15 17 18 19 17 20 21 29 28 29 29 52 53 9 10 13 31 11 32 33 12 34 35 36 37 38 39 14 16 17 40 41 42 43 18 44 45 20 21 22 23 24 25 28 46 26 47 27 48 30 49 30 50 51 1 1 1 1 1 1 1 2 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 2 1 1 1 2 1 2 1 1 1 2 1 2 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 12.726 2.866 7.1962 8.1424 9.4315 9.0744 10.7207 4.5981 3.732 4.5981 2.866 3.732 5.4641 6.3301 2 5.4641 7.1962 6.3301 8.1424 8.726 8.453 9.726 7.7852 10.226 10.226 11.226 11.226 8.0958 9.7422 11.726 4.5981 4.1306 3.3335 4.8101 5.2087 2.654 2.2554 3.3335 4.1306 6.3301 1.69 1.4631 2.31 4.9272 6.3301 7.1785 9.916 9.916 11.536 11.536 7.6818 10.9133 11.1348 -0.6038 -2.6038 -0.1038 -1.4085 1.3577 3.0525 2.5144 -1.6038 -1.1038 -2.6038 -1.6038 -3.1038 -1.1038 -1.6038 -3.1038 -0.1038 -1.1038 0.3962 0.201 -0.6038 1.1515 -0.6038 1.8958 -1.4698 0.2623 -1.4698 0.2623 2.8463 2.3082 -0.6038 -0.9838 -0.6288 -0.6288 -3.1864 -2.4961 -1.0212 -1.7114 -3.5787 -3.5787 -2.2238 -2.5668 -3.4138 -3.6407 0.2062 1.0162 1.7679 -2.0067 0.7992 -2.0067 0.7992 3.3078 3.1038 2.053 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 3 4 4 5 5 6 6 13 13 14 16 19 21 22 22 23 24 25 26 27 17 18 19 17 20 21 29 28 29 14 16 17 18 20 23 24 25 28 26 27 30 30 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 562 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B81000000000000000000000000000001600000003C58B100000000005801FC00001D00100000000D08C11F0C3FB09F4C1800A0033667640082802D3112A009D8203874988868E2C0D9D1942408688002C8C8271080C00E80000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[2-(4-fluorophenyl)-7-(1-methyl-4-piperidyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[2-(4-fluorophenyl)-7-(1-methyl-4-piperidinyl)-3-imidazo[1,2-a]pyridinyl]-2-pyrimidinamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[2-(4-fluorophenyl)-7-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[2-(4-fluorophenyl)-7-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[2-(4-fluorophenyl)-7-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [4-[2-(4-fluorophenyl)-7-(1-methyl-4-piperidyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C23H23FN6/c1-29-11-7-15(8-12-29)17-9-13-30-20(14-17)28-21(16-2-4-18(24)5-3-16)22(30)19-6-10-26-23(25)27-19/h2-6,9-10,13-15H,7-8,11-12H2,1H3,(H2,25,26,27) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 RVEPECICCMOVHO-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.7 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 402.19682292 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C23H23FN6 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 402.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CN1CCC(CC1)C2=CC3=NC(=C(N3C=C2)C4=NC(=NC=C4)N)C5=CC=C(C=C5)F SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CN1CCC(CC1)C2=CC3=NC(=C(N3C=C2)C4=NC(=NC=C4)N)C5=CC=C(C=C5)F Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 72.3 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 402.19682292 30 0 0 0 0 0 0 0 1 -1