1-(4-fluorophenyl)-N-[(1S)-1-[2-[(S)-methylsulfinyl]-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-[(R)-methylsulfinyl]-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(4-methylsulfonylthiophen-2-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(5-methylsulfonylthiophen-2-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide

C101H86F5N23O11S7 — CID 157215052

IUPAC1-(4-fluorophenyl)-N-[(1S)-1-[2-[(S)-methylsulfinyl]-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-[(R)-methylsulfinyl]-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(4-methylsulfonylthiophen-2-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(5-methylsulfonylthiophen-2-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc([S@@](C)=O)c1.CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc([S@](C)=O)c1.CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1nccs1.CS(=O)(=O)c1ccc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)s1.CS(=O)(=O)c1csc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)c1
InChIInChI=1S/2C22H20FN5O2S.C19H16FN5OS.2C19H15FN4O3S2/c2*1-3-19(14-8-9-25-21(10-14)31(2)30)27-22(29)18-11-24-13-20-17(18)12-26-28(20)16-6-4-15(23)5-7-16;1-2-16(19-22-7-8-27-19)24-18(26)15-9-21-11-17-14(15)10-23-25(17)13-5-3-12(20)4-6-13;1-29(26,27)15-6-14(28-11-15)7-22-19(25)17-8-21-10-18-16(17)9-23-24(18)13-4-2-12(20)3-5-13;1-29(26,27)18-7-6-14(28-18)8-22-19(25)16-9-21-11-17-15(16)10-23-24(17)13-4-2-12(20)3-5-13/h2*4-13,19H,3H2,1-2H3,(H,27,29);3-11,16H,2H2,1H3,(H,24,26);2-6,8-11H,7H2,1H3,(H,22,25);2-7,9-11H,8H2,1H3,(H,22,25)/t19-,31+;19-,31-;16-;;/m000../s1
InChIKeyASHYAIHYGMIGEW-ZFTWJHCZSA-N
MW2117.41 g/mol
LogP16.95
Rot. Bonds27

About 1-(4-fluorophenyl)-N-[(1S)-1-[2-[(S)-methylsulfinyl]-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-[(R)-methylsulfinyl]-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(4-methylsulfonylthiophen-2-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(5-methylsulfonylthiophen-2-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide

1-(4-fluorophenyl)-N-[(1S)-1-[2-[(S)-methylsulfinyl]-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-[(R)-methylsulfinyl]-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(4-methylsulfonylthiophen-2-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(5-methylsulfonylthiophen-2-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 157215052) has the molecular formula C101H86F5N23O11S7 and a molecular weight of 2117.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(1S)-1-[2-[(S)-methylsulfinyl]-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-[(R)-methylsulfinyl]-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(4-methylsulfonylthiophen-2-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(5-methylsulfonylthiophen-2-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(1S)-1-[2-[(S)-methylsulfinyl]-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-[(R)-methylsulfinyl]-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(4-methylsulfonylthiophen-2-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(5-methylsulfonylthiophen-2-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
PubChem CID157215052
Molecular FormulaC101H86F5N23O11S7
Molecular Weight2117.41 g/mol
Exact Mass2115.48
IUPAC Name1-(4-fluorophenyl)-N-[(1S)-1-[2-[(S)-methylsulfinyl]-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-[(R)-methylsulfinyl]-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(4-methylsulfonylthiophen-2-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(5-methylsulfonylthiophen-2-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc([S@@](C)=O)c1.CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc([S@](C)=O)c1.CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1nccs1.CS(=O)(=O)c1ccc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)s1.CS(=O)(=O)c1csc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)c1
InChIInChI=1S/2C22H20FN5O2S.C19H16FN5OS.2C19H15FN4O3S2/c2*1-3-19(14-8-9-25-21(10-14)31(2)30)27-22(29)18-11-24-13-20-17(18)12-26-28(20)16-6-4-15(23)5-7-16;1-2-16(19-22-7-8-27-19)24-18(26)15-9-21-11-17-14(15)10-23-25(17)13-5-3-12(20)4-6-13;1-29(26,27)15-6-14(28-11-15)7-22-19(25)17-8-21-10-18-16(17)9-23-24(18)13-4-2-12(20)3-5-13;1-29(26,27)18-7-6-14(28-18)8-22-19(25)16-9-21-11-17-15(16)10-23-24(17)13-4-2-12(20)3-5-13/h2*4-13,19H,3H2,1-2H3,(H,27,29);3-11,16H,2H2,1H3,(H,24,26);2-6,8-11H,7H2,1H3,(H,22,25);2-7,9-11H,8H2,1H3,(H,22,25)/t19-,31+;19-,31-;16-;;/m000../s1
InChIKeyASHYAIHYGMIGEW-ZFTWJHCZSA-N
XLogP16.95
TPSA440.14 Ų
H-Bond Donors5
H-Bond Acceptors32
Rotatable Bonds27
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002117.41
LogP ≤ 516.95
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1032

Analyze 1-(4-fluorophenyl)-N-[(1S)-1-[2-[(S)-methylsulfinyl]-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-[(R)-methylsulfinyl]-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(4-methylsulfonylthiophen-2-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(5-methylsulfonylthiophen-2-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide with MolForge

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Related Compounds

1-(4-fluorophenyl)-N-[(1S)-1-(4-methylsulfonyl-1,3-thiazol-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 45137391
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[[6-(cyclopropanecarbonylamino)-3-pyridinyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[[2-(3-hydroxypropylsulfonyl)-4-pyridinyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[[6-(2-methylpropanoylamino)-3-pyridinyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[[3-methylsulfonyl-5-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 159079721
2-[5-[(2,4-difluorophenyl)sulfonylmethyl]-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-[5-(3,3-dimethyl-2-oxobutyl)-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N,N-dimethyl-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-sulfonamide;N-propan-2-yl-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-sulfonamide;4,7,7-trimethyl-2-[5-(2-oxobutyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-[5-(2-oxopropyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-[5-(propan-2-ylsulfonylmethyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one
CID 159615850
1-(4,4-difluorocyclohexyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S,3R)-3,4-dihydroxy-1-(2-methylsulfonyl-4-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methylsulfonyl-6-oxo-1H-pyridin-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methyl (3S)-3-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]-3-(2-methylsulfonyl-4-pyridinyl)propanoate;N-[(1S)-1-(5-methylsulfonyl-3-pyridinyl)propyl]-1-(oxan-4-yl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 159903398
N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(3-methylsulfonylphenyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(6-methylsulfonyl-3-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[4,5-c]pyridine-4-carboxamide
CID 160026123
4-methyl-N-[1-[(6-methyl-3-pyridinyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;4-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(6-methyl-3-pyridinyl)methyl]indol-3-yl]pyridazine-3-carboxamide;N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]pyridazine-3-carboxamide
CID 160640351
N-[(1S)-1-(5-bromo-3-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-(6-bromo-2-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[1-(6-bromo-3-pyridinyl)-2,2,2-trifluoroethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1R)-1-(2-methylsulfonyl-4-pyridinyl)but-3-enyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[2,2,2-trifluoro-1-(6-methylsulfonyl-3-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 160916250
N-[(1S)-1-(5-bromo-3-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-(6-bromo-2-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[1-(6-bromo-3-pyridinyl)-2,2,2-trifluoroethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(5-methylsulfonyl-3-pyridinyl)butyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[2,2,2-trifluoro-1-(6-methylsulfonyl-3-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 160939134
1-(4,4-difluorocyclohexyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S,3R)-3,4-dihydroxy-1-(2-methylsulfonyl-4-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S,3S)-3,4-dihydroxy-1-(2-methylsulfonyl-4-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methylsulfonyl-6-oxo-1H-pyridin-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-(5-methylsulfonyl-3-pyridinyl)propyl]-1-(oxan-4-yl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 161712305
N-[(1S)-1-[2-(3-amino-3-oxopropyl)-6-methylsulfonyl-4-pyridinyl]propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-(2-methylpropyl)-6-methylsulfonyl-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 123996815
(7R)-1-[(4-fluorophenyl)methyl]-7-methyl-N-[4-(2-oxobut-3-enyl)thiophen-2-yl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7R)-1-[(4-fluorophenyl)methyl]-7-methyl-N-[[3-(prop-2-enoylamino)phenyl]methyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7R)-1-[(4-fluorophenyl)methyl]-7-methyl-N-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7R)-1-[(4-fluorophenyl)methyl]-7-methyl-N-[(3S)-1-prop-2-enoylpyrrolidin-3-yl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide
CID 157124556
1-[(4-fluorophenyl)methyl]-7-methyl-N-[4-(2-oxobut-3-enyl)thiophen-2-yl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;1-[(4-fluorophenyl)methyl]-7-methyl-N-[[3-(prop-2-enoylamino)phenyl]methyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;1-[(4-fluorophenyl)methyl]-7-methyl-N-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;1-[(4-fluorophenyl)methyl]-7-methyl-N-[(3S)-1-prop-2-enoylpyrrolidin-3-yl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide
CID 157124558

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(1S)-1-[2-[(S)-methylsulfinyl]-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-[(R)-methylsulfinyl]-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(4-methylsulfonylthiophen-2-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(5-methylsulfonylthiophen-2-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(1S)-1-[2-[(S)-methylsulfinyl]-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-[(R)-methylsulfinyl]-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(4-methylsulfonylthiophen-2-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(5-methylsulfonylthiophen-2-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide (CID 157215052) is 1-(4-fluorophenyl)-N-[(1S)-1-[2-[(S)-methylsulfinyl]-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-[(R)-methylsulfinyl]-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(4-methylsulfonylthiophen-2-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(5-methylsulfonylthiophen-2-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(1S)-1-[2-[(S)-methylsulfinyl]-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-[(R)-methylsulfinyl]-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(4-methylsulfonylthiophen-2-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(5-methylsulfonylthiophen-2-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(1S)-1-[2-[(S)-methylsulfinyl]-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-[(R)-methylsulfinyl]-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(4-methylsulfonylthiophen-2-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(5-methylsulfonylthiophen-2-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide is CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc([S@@](C)=O)c1.CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc([S@](C)=O)c1.CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1nccs1.CS(=O)(=O)c1ccc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)s1.CS(=O)(=O)c1csc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)c1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(1S)-1-[2-[(S)-methylsulfinyl]-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-[(R)-methylsulfinyl]-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(4-methylsulfonylthiophen-2-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(5-methylsulfonylthiophen-2-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The InChIKey is ASHYAIHYGMIGEW-ZFTWJHCZSA-N. The full InChI is InChI=1S/2C22H20FN5O2S.C19H16FN5OS.2C19H15FN4O3S2/c2*1-3-19(14-8-9-25-21(10-14)31(2)30)27-22(29)18-11-24-13-20-17(18)12-26-28(20)16-6-4-15(23)5-7-16;1-2-16(19-22-7-8-27-19)24-18(26)15-9-21-11-17-14(15)10-23-25(17)13-5-3-12(20)4-6-13;1-29(26,27)15-6-14(28-11-15)7-22-19(25)17-8-21-10-18-16(17)9-23-24(18)13-4-2-12(20)3-5-13;1-29(26,27)18-7-6-14(28-18)8-22-19(25)16-9-21-11-17-15(16)10-23-24(17)13-4-2-12(20)3-5-13/h2*4-13,19H,3H2,1-2H3,(H,27,29);3-11,16H,2H2,1H3,(H,24,26);2-6,8-11H,7H2,1H3,(H,22,25);2-7,9-11H,8H2,1H3,(H,22,25)/t19-,31+;19-,31-;16-;;/m000../s1.
What are the key properties of 1-(4-fluorophenyl)-N-[(1S)-1-[2-[(S)-methylsulfinyl]-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-[(R)-methylsulfinyl]-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(4-methylsulfonylthiophen-2-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(5-methylsulfonylthiophen-2-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
1-(4-fluorophenyl)-N-[(1S)-1-[2-[(S)-methylsulfinyl]-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-[(R)-methylsulfinyl]-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(4-methylsulfonylthiophen-2-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(5-methylsulfonylthiophen-2-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 2117.41 g/mol, XLogP of 16.95, 27 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(1S)-1-[2-[(S)-methylsulfinyl]-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-[(R)-methylsulfinyl]-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(4-methylsulfonylthiophen-2-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(5-methylsulfonylthiophen-2-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 157215052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).