1-(4-chlorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(4-methoxy-3-methylsulfonylphenyl)butyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-1H-pyrazolo[5,4-b]pyridin-4-yl)butyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-2-pyridinyl)butyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide

C99H106ClF12N21O13S4 — CID 161431307

IUPAC1-(4-chlorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(4-methoxy-3-methylsulfonylphenyl)butyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-1H-pyrazolo[5,4-b]pyridin-4-yl)butyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-2-pyridinyl)butyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide
SMILESCCC[C@H](NC(=O)N1c2cnn(-c3ccc(Cl)cc3)c2CCC1C)c1ccnc(S(C)(=O)=O)c1.CCC[C@H](NC(=O)N1c2cnn(-c3ccc(F)cc3)c2CCC1C(F)(F)F)c1cc(S(C)(=O)=O)nc2[nH]ncc12.CCC[C@H](NC(=O)N1c2cnn(-c3ccc(F)cc3)c2CCC1C(F)(F)F)c1ccc(OC)c(S(C)(=O)=O)c1.CCC[C@H](NC(=O)N1c2cnn(-c3ccc(F)cc3)c2CCC1C(F)(F)F)c1cccc(S(C)(=O)=O)n1
InChIInChI=1S/C26H28F4N4O4S.C25H25F4N7O3S.C24H28ClN5O3S.C24H25F4N5O3S/c1-4-5-19(16-6-12-22(38-2)23(14-16)39(3,36)37)32-25(35)33-21-15-31-34(18-9-7-17(27)8-10-18)20(21)11-13-24(33)26(28,29)30;1-3-4-18(16-11-22(40(2,38)39)33-23-17(16)12-30-34-23)32-24(37)35-20-13-31-36(15-7-5-14(26)6-8-15)19(20)9-10-21(35)25(27,28)29;1-4-5-20(17-12-13-26-23(14-17)34(3,32)33)28-24(31)29-16(2)6-11-21-22(29)15-27-30(21)19-9-7-18(25)8-10-19;1-3-5-17(18-6-4-7-22(30-18)37(2,35)36)31-23(34)32-20-14-29-33(16-10-8-15(25)9-11-16)19(20)12-13-21(32)24(26,27)28/h6-10,12,14-15,19,24H,4-5,11,13H2,1-3H3,(H,32,35);5-8,11-13,18,21H,3-4,9-10H2,1-2H3,(H,32,37)(H,30,33,34);7-10,12-16,20H,4-6,11H2,1-3H3,(H,28,31);4,6-11,14,17,21H,3,5,12-13H2,1-2H3,(H,31,34)/t19-,24?;18-,21?;16?,20-;17-,21?/m0000/s1
InChIKeyVYAWYAARFSSXLF-CEOCKWQCSA-N
MW2189.77 g/mol
LogP19.44
Rot. Bonds25

About 1-(4-chlorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(4-methoxy-3-methylsulfonylphenyl)butyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-1H-pyrazolo[5,4-b]pyridin-4-yl)butyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-2-pyridinyl)butyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide

1-(4-chlorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(4-methoxy-3-methylsulfonylphenyl)butyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-1H-pyrazolo[5,4-b]pyridin-4-yl)butyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-2-pyridinyl)butyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide (PubChem CID 161431307) has the molecular formula C99H106ClF12N21O13S4 and a molecular weight of 2189.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(4-methoxy-3-methylsulfonylphenyl)butyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-1H-pyrazolo[5,4-b]pyridin-4-yl)butyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-2-pyridinyl)butyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(4-methoxy-3-methylsulfonylphenyl)butyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-1H-pyrazolo[5,4-b]pyridin-4-yl)butyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-2-pyridinyl)butyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide
PubChem CID161431307
Molecular FormulaC99H106ClF12N21O13S4
Molecular Weight2189.77 g/mol
Exact Mass2187.67
IUPAC Name1-(4-chlorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(4-methoxy-3-methylsulfonylphenyl)butyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-1H-pyrazolo[5,4-b]pyridin-4-yl)butyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-2-pyridinyl)butyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide
SMILESCCC[C@H](NC(=O)N1c2cnn(-c3ccc(Cl)cc3)c2CCC1C)c1ccnc(S(C)(=O)=O)c1.CCC[C@H](NC(=O)N1c2cnn(-c3ccc(F)cc3)c2CCC1C(F)(F)F)c1cc(S(C)(=O)=O)nc2[nH]ncc12.CCC[C@H](NC(=O)N1c2cnn(-c3ccc(F)cc3)c2CCC1C(F)(F)F)c1ccc(OC)c(S(C)(=O)=O)c1.CCC[C@H](NC(=O)N1c2cnn(-c3ccc(F)cc3)c2CCC1C(F)(F)F)c1cccc(S(C)(=O)=O)n1
InChIInChI=1S/C26H28F4N4O4S.C25H25F4N7O3S.C24H28ClN5O3S.C24H25F4N5O3S/c1-4-5-19(16-6-12-22(38-2)23(14-16)39(3,36)37)32-25(35)33-21-15-31-34(18-9-7-17(27)8-10-18)20(21)11-13-24(33)26(28,29)30;1-3-4-18(16-11-22(40(2,38)39)33-23-17(16)12-30-34-23)32-24(37)35-20-13-31-36(15-7-5-14(26)6-8-15)19(20)9-10-21(35)25(27,28)29;1-4-5-20(17-12-13-26-23(14-17)34(3,32)33)28-24(31)29-16(2)6-11-21-22(29)15-27-30(21)19-9-7-18(25)8-10-19;1-3-5-17(18-6-4-7-22(30-18)37(2,35)36)31-23(34)32-20-14-29-33(16-10-8-15(25)9-11-16)19(20)12-13-21(32)24(26,27)28/h6-10,12,14-15,19,24H,4-5,11,13H2,1-3H3,(H,32,35);5-8,11-13,18,21H,3-4,9-10H2,1-2H3,(H,32,37)(H,30,33,34);7-10,12-16,20H,4-6,11H2,1-3H3,(H,28,31);4,6-11,14,17,21H,3,5,12-13H2,1-2H3,(H,31,34)/t19-,24?;18-,21?;16?,20-;17-,21?/m0000/s1
InChIKeyVYAWYAARFSSXLF-CEOCKWQCSA-N
XLogP19.44
TPSA413.78 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds25
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002189.77
LogP ≤ 519.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Analyze 1-(4-chlorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(4-methoxy-3-methylsulfonylphenyl)butyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-1H-pyrazolo[5,4-b]pyridin-4-yl)butyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-2-pyridinyl)butyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide with MolForge

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Related Compounds

1-(4-fluorophenyl)-N-[(1S)-1-(4-methoxy-3-methylsulfonylphenyl)propyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;bis(1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide);bis(1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide)
CID 157247451
6-chloro-3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-one;6-(4,6-dimethylpyrimidin-5-yl)-3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1H-imidazo[4,5-b]pyridin-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-7-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-one;3-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(4-methylpyrimidin-5-yl)-1H-imidazo[4,5-b]pyridin-2-one
CID 160557734
6-chloro-3-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-one;6-(4,6-dimethylpyrimidin-5-yl)-3-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1H-imidazo[4,5-b]pyridin-2-one;3-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-one;3-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-7-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-one;3-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(4-methylpyrimidin-5-yl)-1H-imidazo[4,5-b]pyridin-2-one
CID 160557735
6-chloro-3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-one;6-(4,6-dimethylpyrimidin-5-yl)-3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1H-imidazo[4,5-b]pyridin-2-one;3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-one;3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-7-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-one;3-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-6-(4-methylpyrimidin-5-yl)-1H-imidazo[4,5-b]pyridin-2-one
CID 160557736
8-(1,3-dimethylpyrazol-4-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(1,5-dimethylpyrazol-4-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(3,5-dimethyl-1H-pyrazol-4-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-methyl-6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-methyl-6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;2-[5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]ethanol
CID 159172940
4-[[6-(4-amino-4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-3-yl]sulfanyl]-3-fluoropyridin-2-amine;tert-butyl N-[1-[3-[(2-chloro-3-fluoro-4-pyridinyl)sulfanyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]carbamate;tert-butyl N-[1-[3-[[3-fluoro-2-[(4-methoxyphenyl)methylamino]-4-pyridinyl]sulfanyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]carbamate;tert-butyl N-[1-[1-[(4-methoxyphenyl)methyl]-3-sulfanylidene-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]carbamate
CID 162028811

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(4-methoxy-3-methylsulfonylphenyl)butyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-1H-pyrazolo[5,4-b]pyridin-4-yl)butyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-2-pyridinyl)butyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(4-methoxy-3-methylsulfonylphenyl)butyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-1H-pyrazolo[5,4-b]pyridin-4-yl)butyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-2-pyridinyl)butyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide (CID 161431307) is 1-(4-chlorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(4-methoxy-3-methylsulfonylphenyl)butyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-1H-pyrazolo[5,4-b]pyridin-4-yl)butyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-2-pyridinyl)butyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(4-methoxy-3-methylsulfonylphenyl)butyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-1H-pyrazolo[5,4-b]pyridin-4-yl)butyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-2-pyridinyl)butyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(4-methoxy-3-methylsulfonylphenyl)butyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-1H-pyrazolo[5,4-b]pyridin-4-yl)butyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-2-pyridinyl)butyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide is CCC[C@H](NC(=O)N1c2cnn(-c3ccc(Cl)cc3)c2CCC1C)c1ccnc(S(C)(=O)=O)c1.CCC[C@H](NC(=O)N1c2cnn(-c3ccc(F)cc3)c2CCC1C(F)(F)F)c1cc(S(C)(=O)=O)nc2[nH]ncc12.CCC[C@H](NC(=O)N1c2cnn(-c3ccc(F)cc3)c2CCC1C(F)(F)F)c1ccc(OC)c(S(C)(=O)=O)c1.CCC[C@H](NC(=O)N1c2cnn(-c3ccc(F)cc3)c2CCC1C(F)(F)F)c1cccc(S(C)(=O)=O)n1.
What is the InChIKey of 1-(4-chlorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(4-methoxy-3-methylsulfonylphenyl)butyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-1H-pyrazolo[5,4-b]pyridin-4-yl)butyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-2-pyridinyl)butyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide?
The InChIKey is VYAWYAARFSSXLF-CEOCKWQCSA-N. The full InChI is InChI=1S/C26H28F4N4O4S.C25H25F4N7O3S.C24H28ClN5O3S.C24H25F4N5O3S/c1-4-5-19(16-6-12-22(38-2)23(14-16)39(3,36)37)32-25(35)33-21-15-31-34(18-9-7-17(27)8-10-18)20(21)11-13-24(33)26(28,29)30;1-3-4-18(16-11-22(40(2,38)39)33-23-17(16)12-30-34-23)32-24(37)35-20-13-31-36(15-7-5-14(26)6-8-15)19(20)9-10-21(35)25(27,28)29;1-4-5-20(17-12-13-26-23(14-17)34(3,32)33)28-24(31)29-16(2)6-11-21-22(29)15-27-30(21)19-9-7-18(25)8-10-19;1-3-5-17(18-6-4-7-22(30-18)37(2,35)36)31-23(34)32-20-14-29-33(16-10-8-15(25)9-11-16)19(20)12-13-21(32)24(26,27)28/h6-10,12,14-15,19,24H,4-5,11,13H2,1-3H3,(H,32,35);5-8,11-13,18,21H,3-4,9-10H2,1-2H3,(H,32,37)(H,30,33,34);7-10,12-16,20H,4-6,11H2,1-3H3,(H,28,31);4,6-11,14,17,21H,3,5,12-13H2,1-2H3,(H,31,34)/t19-,24?;18-,21?;16?,20-;17-,21?/m0000/s1.
What are the key properties of 1-(4-chlorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(4-methoxy-3-methylsulfonylphenyl)butyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-1H-pyrazolo[5,4-b]pyridin-4-yl)butyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-2-pyridinyl)butyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide?
1-(4-chlorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(4-methoxy-3-methylsulfonylphenyl)butyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-1H-pyrazolo[5,4-b]pyridin-4-yl)butyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-2-pyridinyl)butyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide has a molecular weight of 2189.77 g/mol, XLogP of 19.44, 25 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(4-methoxy-3-methylsulfonylphenyl)butyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-1H-pyrazolo[5,4-b]pyridin-4-yl)butyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-2-pyridinyl)butyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide is sourced from PubChem (CID 161431307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).