69557199 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 9 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 4 4 5 5 5 6 6 7 7 7 8 9 10 11 11 12 12 13 13 14 14 15 15 16 17 17 17 18 18 19 19 21 21 21 22 23 23 24 24 26 26 26 25 3 8 13 9 10 20 17 20 38 20 22 8 9 10 12 11 15 18 19 14 27 16 28 16 29 22 30 33 21 31 32 23 34 24 35 26 36 37 39 25 40 25 41 42 43 44 1 1 1 1 2 2 1 1 1 1 2 1 2 1 1 1 1 1 2 1 2 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 1 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 9.2619 3.732 4.6783 5.9674 7.2566 5.6103 4.6783 3.732 5.2619 4.9889 6.2619 2.866 2.866 2 4.3211 2 7.5673 6.7619 6.7619 6.2781 8.5458 4.6318 7.7619 7.7619 8.2619 8.8564 2.866 2.866 1.4631 3.7144 7.5467 6.9534 1.4631 6.4519 6.4519 8.5663 9.1596 7.6707 4.2177 8.0719 8.0719 9.4458 9.049 8.2671 -2.1127 -2.6127 -2.9175 -0.1513 1.0055 1.5436 -1.308 -1.6127 -2.1127 -0.3575 -2.1127 -1.1127 -3.1127 -1.6127 0.3868 -2.6127 1.956 -2.9788 -1.2467 0.7993 2.1622 1.3373 -2.9788 -1.2467 -2.1127 3.1127 -0.4927 -3.7327 -1.3027 0.259 2.5756 2.0434 -2.9227 -3.5157 -0.7098 1.5426 2.0749 0.544 1.7988 -3.5157 -0.7098 2.9201 3.7021 3.3054 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 2 3 4 4 6 6 7 7 8 10 11 11 12 13 14 15 18 19 23 24 3 8 13 9 10 20 20 22 8 9 12 15 18 19 14 16 16 22 23 24 25 25 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 442 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B81000000000000000000000000000001600000003C588000000000005801FC00001D00180000000C08C11E0C3FD0B6C81000A203346764009284293182A019D8A03864988828E2C0D9D184A408689802C8C8271080C00E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-propyl-pyrimidin-2-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[2-(4-fluorophenyl)-3-pyrazolo[1,5-a]pyridinyl]-N-propyl-2-pyrimidinamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-<I>N</I>-propylpyrimidin-2-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-propylpyrimidin-2-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-propyl-pyrimidin-2-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]-propyl-amine InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C20H18FN5/c1-2-11-22-20-23-12-10-16(24-20)18-17-5-3-4-13-26(17)25-19(18)14-6-8-15(21)9-7-14/h3-10,12-13H,2,11H2,1H3,(H,22,23,24) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 SUWMKGNNIYXVEH-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 347.15462376 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C20H18FN5 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 347.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCCNC1=NC=CC(=N1)C2=C3C=CC=CN3N=C2C4=CC=C(C=C4)F SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCCNC1=NC=CC(=N1)C2=C3C=CC=CN3N=C2C4=CC=C(C=C4)F Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 55.1 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 347.15462376 26 0 0 0 0 0 0 0 1 -1