1-[3-[3-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[(2-methylindazol-6-yl)amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[(1-methylpyrazol-4-yl)amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1,3-oxazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1,2,4-triazol-1-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-(1,2,4-triazol-1-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C101H116FN37O7 — CID 158306208

IUPAC1-[3-[3-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[(2-methylindazol-6-yl)amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[(1-methylpyrazol-4-yl)amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1,3-oxazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1,2,4-triazol-1-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-(1,2,4-triazol-1-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(Nc3ccc(-c4cnn(C)c4)c(F)c3)nn2C)C1.CC(=O)N1CCc2c(c(Nc3ccc(-n4cncn4)cc3)nn2C)C1.CC(=O)N1CCc2c(c(Nc3ccc4cn(C)nc4c3)nn2C)C1.CC(=O)N1CCc2c(c(Nc3cccc(-c4cnco4)c3)nn2C)C1.CC(=O)N1CCc2c(c(Nc3cccc(-n4cncn4)c3)nn2C)C1.CC(=O)N1CCc2c(c(Nc3cnn(C)c3)nn2C)C1
InChIInChI=1S/C19H21FN6O.C18H19N5O2.2C17H19N7O.C17H20N6O.C13H18N6O/c1-12(27)26-7-6-18-16(11-26)19(23-25(18)3)22-14-4-5-15(17(20)8-14)13-9-21-24(2)10-13;1-12(24)23-7-6-16-15(10-23)18(21-22(16)2)20-14-5-3-4-13(8-14)17-9-19-11-25-17;1-12(25)23-8-7-16-15(9-23)17(21-22(16)2)20-13-3-5-14(6-4-13)24-11-18-10-19-24;1-12(25)23-7-6-16-15(9-23)17(21-22(16)2)20-13-4-3-5-14(8-13)24-11-18-10-19-24;1-11(24)23-7-6-16-14(10-23)17(20-22(16)3)18-13-5-4-12-9-21(2)19-15(12)8-13;1-9(20)19-5-4-12-11(8-19)13(16-18(12)3)15-10-6-14-17(2)7-10/h4-5,8-10H,6-7,11H2,1-3H3,(H,22,23);3-5,8-9,11H,6-7,10H2,1-2H3,(H,20,21);3-6,10-11H,7-9H2,1-2H3,(H,20,21);3-5,8,10-11H,6-7,9H2,1-2H3,(H,20,21);4-5,8-9H,6-7,10H2,1-3H3,(H,18,20);6-7H,4-5,8H2,1-3H3,(H,15,16)
InChIKeyGNCNCQYWAWLZFP-UHFFFAOYSA-N
MW1979.29 g/mol
LogP11.39
Rot. Bonds16

About 1-[3-[3-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[(2-methylindazol-6-yl)amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[(1-methylpyrazol-4-yl)amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1,3-oxazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1,2,4-triazol-1-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-(1,2,4-triazol-1-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[3-[3-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[(2-methylindazol-6-yl)amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[(1-methylpyrazol-4-yl)amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1,3-oxazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1,2,4-triazol-1-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-(1,2,4-triazol-1-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 158306208) has the molecular formula C101H116FN37O7 and a molecular weight of 1979.29 g/mol. Its IUPAC name is 1-[3-[3-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[(2-methylindazol-6-yl)amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[(1-methylpyrazol-4-yl)amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1,3-oxazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1,2,4-triazol-1-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-(1,2,4-triazol-1-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-[3-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[(2-methylindazol-6-yl)amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[(1-methylpyrazol-4-yl)amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1,3-oxazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1,2,4-triazol-1-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-(1,2,4-triazol-1-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID158306208
Molecular FormulaC101H116FN37O7
Molecular Weight1979.29 g/mol
Exact Mass1977.98
IUPAC Name1-[3-[3-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[(2-methylindazol-6-yl)amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[(1-methylpyrazol-4-yl)amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1,3-oxazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1,2,4-triazol-1-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-(1,2,4-triazol-1-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(Nc3ccc(-c4cnn(C)c4)c(F)c3)nn2C)C1.CC(=O)N1CCc2c(c(Nc3ccc(-n4cncn4)cc3)nn2C)C1.CC(=O)N1CCc2c(c(Nc3ccc4cn(C)nc4c3)nn2C)C1.CC(=O)N1CCc2c(c(Nc3cccc(-c4cnco4)c3)nn2C)C1.CC(=O)N1CCc2c(c(Nc3cccc(-n4cncn4)c3)nn2C)C1.CC(=O)N1CCc2c(c(Nc3cnn(C)c3)nn2C)C1
InChIInChI=1S/C19H21FN6O.C18H19N5O2.2C17H19N7O.C17H20N6O.C13H18N6O/c1-12(27)26-7-6-18-16(11-26)19(23-25(18)3)22-14-4-5-15(17(20)8-14)13-9-21-24(2)10-13;1-12(24)23-7-6-16-15(10-23)18(21-22(16)2)20-14-5-3-4-13(8-14)17-9-19-11-25-17;1-12(25)23-8-7-16-15(9-23)17(21-22(16)2)20-13-3-5-14(6-4-13)24-11-18-10-19-24;1-12(25)23-7-6-16-15(9-23)17(21-22(16)2)20-13-4-3-5-14(8-13)24-11-18-10-19-24;1-11(24)23-7-6-16-14(10-23)17(20-22(16)3)18-13-5-4-12-9-21(2)19-15(12)8-13;1-9(20)19-5-4-12-11(8-19)13(16-18(12)3)15-10-6-14-17(2)7-10/h4-5,8-10H,6-7,11H2,1-3H3,(H,22,23);3-5,8-9,11H,6-7,10H2,1-2H3,(H,20,21);3-6,10-11H,7-9H2,1-2H3,(H,20,21);3-5,8,10-11H,6-7,9H2,1-2H3,(H,20,21);4-5,8-9H,6-7,10H2,1-3H3,(H,18,20);6-7H,4-5,8H2,1-3H3,(H,15,16)
InChIKeyGNCNCQYWAWLZFP-UHFFFAOYSA-N
XLogP11.39
TPSA441.87 Ų
H-Bond Donors6
H-Bond Acceptors38
Rotatable Bonds16
Heavy Atoms146
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001979.29
LogP ≤ 511.39
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1038

Analyze 1-[3-[3-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[(2-methylindazol-6-yl)amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[(1-methylpyrazol-4-yl)amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1,3-oxazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1,2,4-triazol-1-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-(1,2,4-triazol-1-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone with MolForge

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Related Compounds

10-[2-[4-[2-Fluoro-5-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethyl]-4-pyridin-2-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
CID 11685275
10-[2-[4-[2-Fluoro-5-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethyl]-4-pyrazin-2-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
CID 16004683
10-[2-[4-[2-Fluoro-5-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethyl]-4-(3-methyl-2-pyridinyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
CID 59295809
10-[2-[4-[2-Fluoro-5-(1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethyl]-4-pyridin-2-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
CID 59295865
2-[4-[1-[6-[7-[4-[1-(2-methoxyethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1-(2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]-2-propan-2-yl-3-pyridinyl]-3-[[5-[3-methyl-7-[4-(triazol-2-yl)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-6-propan-2-yl-2-pyridinyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]phenyl]-5-methyl-1,3-oxazole
CID 153629252
N-[5-[2-[3-[4-[2-[3-[6-[[5-fluoro-1-(pyridin-4-ylmethyl)indole-6-carbonyl]amino]-2-pyridinyl]-1,2,4-triazol-4-yl]propyl]-6-[[1-[2-(1-phenylethoxy)ethyl]imidazo[4,5-c]pyridine-6-carbonyl]amino]-2-pyridinyl]-1,2,4-triazol-4-yl]propyl]-6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-[2-(pyridin-4-ylmethoxy)ethyl]imidazo[4,5-c]pyridine-6-carboxamide
CID 154991766
CID 157703037
CID 157703037
1-(3-tert-butyl-2-methylphenyl)pyrazole;(3-tert-butylphenyl)-(3,3-difluoroazetidin-1-yl)methanone;1-methyl-4-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-5-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrrole;2-methyl-1-phenyl-3-propan-2-ylbenzene;5-(2-methyl-3-propan-2-ylphenyl)-1,3-oxazole;4-(2-methyl-3-propan-2-ylphenyl)pyridazine;2-(2-methyl-3-propan-2-ylphenyl)pyridine;3-(2-methyl-3-propan-2-ylphenyl)pyridine;3-(2-methyl-3-propan-2-ylphenyl)-1H-pyrrole
CID 157760955
1,5-di(propan-2-yl)benzotriazole;2-fluoro-4-propan-2-ylpyridine;3-fluoro-4-propan-2-ylpyridine;2-methoxy-3-propan-2-ylpyridine;2-methoxy-4-propan-2-ylpyridine;3-methoxy-4-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-yl-1H-pyridin-2-one;5-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;4-propan-2-yl-2H-triazole;1-propan-2-yl-2-(trifluoromethyl)benzene
CID 158433120
2-N-(1,3-benzoxazol-5-yl)-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;N-[4-(2-methylbenzimidazol-1-yl)-6-(quinolin-6-ylamino)-1,3,5-triazin-2-yl]hydroxylamine;6-(2-methylbenzimidazol-1-yl)-2-N-quinolin-6-yl-1,3,5-triazine-2,4-diamine;N-[4-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]hydroxylamine
CID 158799670
4-(3-tert-butyl-5-fluorophenyl)-1-methylpyrazole;4-(4-tert-butyl-2-fluorophenyl)-1-methylpyrazole;4-(4-tert-butyl-3-fluorophenyl)-1-methylpyrazole;4-(5-tert-butyl-2-fluorophenyl)-1-methylpyrazole;1-tert-butyl-3-methylbenzene;6-tert-butyl-1-methylindazole;bis(5-(3-tert-butylphenyl)-1,3-oxazole);1-(3-tert-butylphenyl)-1,2,4-triazole;1-(4-tert-butylphenyl)-1,2,4-triazole;3-tert-butyl-N-propan-2-ylbenzamide;1-tert-butyl-3-(trifluoromethyl)benzene
CID 160078155
(9S)-N-(1-ethylindazol-4-yl)-5-(3-methylphenyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(3-methylphenyl)-N-(2-methylquinoxalin-5-yl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(3-methylphenyl)-N-[3-(1,3-oxazol-5-yl)phenyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(3-methylphenyl)-N-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-8-carboxamide
CID 161033297

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[(2-methylindazol-6-yl)amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[(1-methylpyrazol-4-yl)amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1,3-oxazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1,2,4-triazol-1-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-(1,2,4-triazol-1-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[3-[3-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[(2-methylindazol-6-yl)amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[(1-methylpyrazol-4-yl)amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1,3-oxazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1,2,4-triazol-1-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-(1,2,4-triazol-1-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 158306208) is 1-[3-[3-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[(2-methylindazol-6-yl)amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[(1-methylpyrazol-4-yl)amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1,3-oxazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1,2,4-triazol-1-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-(1,2,4-triazol-1-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[3-[3-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[(2-methylindazol-6-yl)amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[(1-methylpyrazol-4-yl)amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1,3-oxazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1,2,4-triazol-1-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-(1,2,4-triazol-1-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[3-[3-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[(2-methylindazol-6-yl)amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[(1-methylpyrazol-4-yl)amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1,3-oxazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1,2,4-triazol-1-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-(1,2,4-triazol-1-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(Nc3ccc(-c4cnn(C)c4)c(F)c3)nn2C)C1.CC(=O)N1CCc2c(c(Nc3ccc(-n4cncn4)cc3)nn2C)C1.CC(=O)N1CCc2c(c(Nc3ccc4cn(C)nc4c3)nn2C)C1.CC(=O)N1CCc2c(c(Nc3cccc(-c4cnco4)c3)nn2C)C1.CC(=O)N1CCc2c(c(Nc3cccc(-n4cncn4)c3)nn2C)C1.CC(=O)N1CCc2c(c(Nc3cnn(C)c3)nn2C)C1.
What is the InChIKey of 1-[3-[3-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[(2-methylindazol-6-yl)amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[(1-methylpyrazol-4-yl)amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1,3-oxazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1,2,4-triazol-1-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-(1,2,4-triazol-1-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is GNCNCQYWAWLZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6O.C18H19N5O2.2C17H19N7O.C17H20N6O.C13H18N6O/c1-12(27)26-7-6-18-16(11-26)19(23-25(18)3)22-14-4-5-15(17(20)8-14)13-9-21-24(2)10-13;1-12(24)23-7-6-16-15(10-23)18(21-22(16)2)20-14-5-3-4-13(8-14)17-9-19-11-25-17;1-12(25)23-8-7-16-15(9-23)17(21-22(16)2)20-13-3-5-14(6-4-13)24-11-18-10-19-24;1-12(25)23-7-6-16-15(9-23)17(21-22(16)2)20-13-4-3-5-14(8-13)24-11-18-10-19-24;1-11(24)23-7-6-16-14(10-23)17(20-22(16)3)18-13-5-4-12-9-21(2)19-15(12)8-13;1-9(20)19-5-4-12-11(8-19)13(16-18(12)3)15-10-6-14-17(2)7-10/h4-5,8-10H,6-7,11H2,1-3H3,(H,22,23);3-5,8-9,11H,6-7,10H2,1-2H3,(H,20,21);3-6,10-11H,7-9H2,1-2H3,(H,20,21);3-5,8,10-11H,6-7,9H2,1-2H3,(H,20,21);4-5,8-9H,6-7,10H2,1-3H3,(H,18,20);6-7H,4-5,8H2,1-3H3,(H,15,16).
What are the key properties of 1-[3-[3-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[(2-methylindazol-6-yl)amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[(1-methylpyrazol-4-yl)amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1,3-oxazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1,2,4-triazol-1-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-(1,2,4-triazol-1-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[3-[3-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[(2-methylindazol-6-yl)amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[(1-methylpyrazol-4-yl)amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1,3-oxazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1,2,4-triazol-1-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-(1,2,4-triazol-1-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 1979.29 g/mol, XLogP of 11.39, 16 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[(2-methylindazol-6-yl)amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[(1-methylpyrazol-4-yl)amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1,3-oxazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1,2,4-triazol-1-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-(1,2,4-triazol-1-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 158306208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).