60006791 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 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 6 6 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 4 4 4 5 5 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 12 13 13 14 15 15 16 17 18 19 19 20 20 21 21 22 22 23 24 24 25 25 26 26 27 27 28 7 12 38 12 18 6 16 21 14 18 17 8 9 29 10 30 31 11 32 33 11 34 35 36 37 13 14 39 15 16 17 20 19 40 24 25 22 41 23 42 23 43 44 26 45 27 46 28 47 28 48 1 1 1 1 2 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 2 1 2 1 2 1 1 1 1 1 1 2 1 2 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 9.2619 7.2566 5.6103 3.732 4.3211 4.6783 7.5673 8.5189 6.9809 8.5206 7.5701 6.2781 5.9674 4.9889 4.6783 3.732 5.2619 4.6318 6.2619 2.866 2.866 2 2 6.7619 6.7619 7.7619 7.7619 8.2619 6.9547 8.6467 9.1356 6.5208 6.5194 9.1371 8.6505 7.8232 7.0337 7.6707 6.3815 4.2177 2.866 2.866 1.4631 1.4631 6.4519 6.4519 8.0719 8.0719 -2.3434 0.7748 1.3129 -2.8434 0.1562 -3.1481 1.7254 2.0327 2.5354 3.0327 3.3434 0.5686 -0.3819 -0.5881 -1.5386 -1.8434 -2.3434 1.1067 -2.3434 -1.3434 -3.3434 -1.8434 -2.8434 -3.2094 -1.4774 -3.2094 -1.4774 -2.3434 1.6294 1.426 2.0965 2.951 2.1213 2.9668 3.639 3.9093 3.6543 0.3134 -0.8434 1.5682 -0.7234 -3.9634 -1.5334 -3.1534 -3.7463 -0.9404 -3.7463 -0.9404 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 4 5 5 6 12 13 15 15 16 19 19 20 21 22 24 25 26 27 12 18 6 16 21 14 18 17 13 14 16 17 20 24 25 22 23 23 26 27 28 28 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 505 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B81000000000000000000000000000001E20000003C588000000000005801FC00001D00180000000C28C11E0C3DF0B6C81000A203366764009284293182A019D8A03864988828E2C0D9D184A408689802C8C8271080C00E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-cyclopentyl-6-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-cyclopentyl-6-[2-(4-fluorophenyl)-3-pyrazolo[1,5-a]pyridinyl]-4-pyrimidinamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-cyclopentyl-6-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-cyclopentyl-6-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-cyclopentyl-6-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 cyclopentyl-[6-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-yl]amine InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C22H20FN5/c23-16-10-8-15(9-11-16)22-21(19-7-3-4-12-28(19)27-22)18-13-20(25-14-24-18)26-17-5-1-2-6-17/h3-4,7-14,17H,1-2,5-6H2,(H,24,25,26) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 XXWZBTYERUPUIX-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 373.17027382 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C22H20FN5 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 373.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CCC(C1)NC2=NC=NC(=C2)C3=C4C=CC=CN4N=C3C5=CC=C(C=C5)F SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CCC(C1)NC2=NC=NC(=C2)C3=C4C=CC=CN4N=C3C5=CC=C(C=C5)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 2021.05.07 373.17027382 28 0 0 0 0 0 0 0 1 -1