60006798 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 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 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 5 5 5 6 7 7 7 8 8 8 9 9 11 11 11 12 13 14 15 15 16 17 17 18 18 19 19 20 20 21 22 22 23 23 24 24 24 25 25 26 26 27 7 10 33 10 12 10 16 6 13 19 14 8 9 28 9 29 30 31 32 12 13 14 15 17 18 16 34 36 21 35 22 23 20 37 21 24 38 25 39 26 40 41 42 43 27 44 27 45 1 1 1 1 1 2 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 2 1 2 1 2 1 1 1 1 1 1 2 1 1 1 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 10.1279 4.8299 5.1871 6.4763 4.5981 5.5443 5.1406 5.8849 4.9344 5.4978 5.5443 5.855 4.5981 6.1279 6.8335 7.1441 3.732 7.1279 3.732 2.866 2.866 7.6279 7.6279 2 8.6279 8.6279 9.1279 5.66 6.3728 6.1769 5.0217 4.3147 4.2233 7.2475 3.732 7.7508 3.732 2.3291 7.3179 7.3179 1.69 1.4631 2.31 8.9379 8.9379 -2.5617 1.6327 -0.0621 1.0946 -3.0617 -3.3664 2.5832 3.251 3.5617 0.8884 -1.757 -0.8064 -2.0617 -2.5617 -0.6002 0.3503 -1.5617 -2.5617 -3.5617 -3.0617 -2.0617 -1.6957 -3.4277 -3.5617 -1.6957 -3.4277 -2.5617 2.2446 2.8685 3.798 4.1755 3.5411 1.5048 -1.0617 -0.9417 0.4781 -4.1817 -1.7517 -1.1587 -3.9647 -3.0248 -3.8717 -4.0986 -1.1587 -3.9647 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 5 5 5 6 11 11 12 13 15 17 18 18 19 20 22 23 25 26 10 12 10 16 6 13 19 14 13 14 15 17 16 21 22 23 20 21 25 26 27 27 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 507 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 00000371E07B81000000000000000000000018000001600000003C588000000000005801FC00001D00180000000C28C11E0C3FD0B6C81000A203346764009284293182A019D8A03864988828E2C0D9D184A408689802C8C8271080C00E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-cyclopropyl-4-[2-(4-fluorophenyl)-6-methyl-pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-cyclopropyl-4-[2-(4-fluorophenyl)-6-methyl-3-pyrazolo[1,5-a]pyridinyl]-2-pyrimidinamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-cyclopropyl-4-[2-(4-fluorophenyl)-6-methylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-cyclopropyl-4-[2-(4-fluorophenyl)-6-methylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-cyclopropyl-4-[2-(4-fluorophenyl)-6-methyl-pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 cyclopropyl-[4-[2-(4-fluorophenyl)-6-methyl-pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]amine InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C21H18FN5/c1-13-2-9-18-19(17-10-11-23-21(25-17)24-16-7-8-16)20(26-27(18)12-13)14-3-5-15(22)6-4-14/h2-6,9-12,16H,7-8H2,1H3,(H,23,24,25) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 ZFBHEZPDBHHODH-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 2021.05.07 359.15462376 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C21H18FN5 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 359.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CN2C(=C(C(=N2)C3=CC=C(C=C3)F)C4=NC(=NC=C4)NC5CC5)C=C1 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CN2C(=C(C(=N2)C3=CC=C(C=C3)F)C4=NC(=NC=C4)NC5CC5)C=C1 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 2021.05.07 359.15462376 27 0 0 0 0 0 0 0 1 -1