4-chloro-N-(4-chlorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-methoxyphenyl)-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;N-(4-chlorophenyl)-4-methoxy-3-methyl-1-(2-piperazin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;methane

C103H108Cl5F3N26O9 — CID 158461381

IUPAC4-chloro-N-(4-chlorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-methoxyphenyl)-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;N-(4-chlorophenyl)-4-methoxy-3-methyl-1-(2-piperazin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;methane
SMILESC.C.C.C.COc1c(C(=O)Nc2ccc(Cl)cc2)cnc2c1c(C)nn2CCN1CCNCC1.COc1ccc(Cn2cc(Cn3cc(C)c4c(Cl)c(C(=O)Nc5ccc(OC)cc5)cnc43)nn2)cc1.COc1ccc(Cn2cc(Cn3nc(C)c4c(Cl)c(C(=O)Nc5ccc(C(F)(F)F)cc5)cnc43)nn2)cc1.COc1ccc(Cn2cc(Cn3nc(C)c4c(Cl)c(C(=O)Nc5ccc(Cl)cc5)cnc43)nn2)cc1
InChIInChI=1S/C27H25ClN6O3.C26H21ClF3N7O2.C25H21Cl2N7O2.C21H25ClN6O2.4CH4/c1-17-13-33(15-20-16-34(32-31-20)14-18-4-8-21(36-2)9-5-18)26-24(17)25(28)23(12-29-26)27(35)30-19-6-10-22(37-3)11-7-19;1-15-22-23(27)21(25(38)32-18-7-5-17(6-8-18)26(28,29)30)11-31-24(22)37(34-15)14-19-13-36(35-33-19)12-16-3-9-20(39-2)10-4-16;1-15-22-23(27)21(25(35)29-18-7-5-17(26)6-8-18)11-28-24(22)34(31-15)14-19-13-33(32-30-19)12-16-3-9-20(36-2)10-4-16;1-14-18-19(30-2)17(21(29)25-16-5-3-15(22)4-6-16)13-24-20(18)28(26-14)12-11-27-9-7-23-8-10-27;;;;/h4-13,16H,14-15H2,1-3H3,(H,30,35);3-11,13H,12,14H2,1-2H3,(H,32,38);3-11,13H,12,14H2,1-2H3,(H,29,35);3-6,13,23H,7-12H2,1-2H3,(H,25,29);4*1H4
InChIKeyHFFHKXVTJWCMTQ-UHFFFAOYSA-N
MW2088.43 g/mol
LogP20.42
Rot. Bonds28

About 4-chloro-N-(4-chlorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-methoxyphenyl)-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;N-(4-chlorophenyl)-4-methoxy-3-methyl-1-(2-piperazin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;methane

4-chloro-N-(4-chlorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-methoxyphenyl)-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;N-(4-chlorophenyl)-4-methoxy-3-methyl-1-(2-piperazin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;methane (PubChem CID 158461381) has the molecular formula C103H108Cl5F3N26O9 and a molecular weight of 2088.43 g/mol. Its IUPAC name is 4-chloro-N-(4-chlorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-methoxyphenyl)-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;N-(4-chlorophenyl)-4-methoxy-3-methyl-1-(2-piperazin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;methane.

Molecular Properties

Compound Name4-chloro-N-(4-chlorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-methoxyphenyl)-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;N-(4-chlorophenyl)-4-methoxy-3-methyl-1-(2-piperazin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;methane
PubChem CID158461381
Molecular FormulaC103H108Cl5F3N26O9
Molecular Weight2088.43 g/mol
Exact Mass2084.72
IUPAC Name4-chloro-N-(4-chlorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-methoxyphenyl)-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;N-(4-chlorophenyl)-4-methoxy-3-methyl-1-(2-piperazin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;methane
SMILESC.C.C.C.COc1c(C(=O)Nc2ccc(Cl)cc2)cnc2c1c(C)nn2CCN1CCNCC1.COc1ccc(Cn2cc(Cn3cc(C)c4c(Cl)c(C(=O)Nc5ccc(OC)cc5)cnc43)nn2)cc1.COc1ccc(Cn2cc(Cn3nc(C)c4c(Cl)c(C(=O)Nc5ccc(C(F)(F)F)cc5)cnc43)nn2)cc1.COc1ccc(Cn2cc(Cn3nc(C)c4c(Cl)c(C(=O)Nc5ccc(Cl)cc5)cnc43)nn2)cc1
InChIInChI=1S/C27H25ClN6O3.C26H21ClF3N7O2.C25H21Cl2N7O2.C21H25ClN6O2.4CH4/c1-17-13-33(15-20-16-34(32-31-20)14-18-4-8-21(36-2)9-5-18)26-24(17)25(28)23(12-29-26)27(35)30-19-6-10-22(37-3)11-7-19;1-15-22-23(27)21(25(38)32-18-7-5-17(6-8-18)26(28,29)30)11-31-24(22)37(34-15)14-19-13-36(35-33-19)12-16-3-9-20(39-2)10-4-16;1-15-22-23(27)21(25(35)29-18-7-5-17(26)6-8-18)11-28-24(22)34(31-15)14-19-13-33(32-30-19)12-16-3-9-20(36-2)10-4-16;1-14-18-19(30-2)17(21(29)25-16-5-3-15(22)4-6-16)13-24-20(18)28(26-14)12-11-27-9-7-23-8-10-27;;;;/h4-13,16H,14-15H2,1-3H3,(H,30,35);3-11,13H,12,14H2,1-2H3,(H,32,38);3-11,13H,12,14H2,1-2H3,(H,29,35);3-6,13,23H,7-12H2,1-2H3,(H,25,29);4*1H4
InChIKeyHFFHKXVTJWCMTQ-UHFFFAOYSA-N
XLogP20.42
TPSA379.90 Ų
H-Bond Donors5
H-Bond Acceptors31
Rotatable Bonds28
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002088.43
LogP ≤ 520.42
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1031

Analyze 4-chloro-N-(4-chlorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-methoxyphenyl)-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;N-(4-chlorophenyl)-4-methoxy-3-methyl-1-(2-piperazin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;methane with MolForge

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Related Compounds

US10272074, Example 279
CID 122442760
4-chloro-1-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 122458561
6-anilino-4-chloro-5-ethanimidoyl-N-phenylpyridine-3-carboxamide;4-chloro-N-[4-(2-methoxyethyl)phenyl]-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-phenyl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;ethane
CID 145131124
4-chloro-N-(4-chlorophenyl)-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-cyclopentyl-3-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-cyclopentyl-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-(oxan-4-yl)-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;N-(4-chlorophenyl)-4-methoxy-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 157400982
4-chloro-N-(4-chlorophenyl)-3-methyl-1-[(5-methyl-2H-triazol-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-methoxyphenyl)-3-methyl-1-[(5-methyl-4H-pyrazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[[1-[(4-methoxyphenyl)methyl]-5-methyltriazol-4-yl]methyl]-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-methoxyphenyl)-3-methyl-1-[(5-methyl-2H-triazol-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-[(5-methyl-2H-triazol-4-yl)methyl]-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;methane
CID 157412499
4-chloro-N-(4-chlorophenyl)-N,3-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;N-(4-chlorophenyl)-3,4-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;N-(4-chlorophenyl)-4-fluoro-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;N-(4-chlorophenyl)-4-methoxy-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;N-(4-chlorophenyl)-3-methyl-4-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxamide;N-(4-chlorophenyl)-3-methyl-1-phenyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 157632105
8-chloro-3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-fluoro-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-8-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-7-amine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-7-carboxamide;N-[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]acetamide;[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]methanol;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(4-methylphenoxy)-[1,2,4]triazolo[4,3-a]pyrazine
CID 157988270
CID 158924848
CID 158924848
(5-chloro-2-methoxyphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(2-methoxy-5-methylphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-methyl-3-pyridinyl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-phenylmethanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 159571045
4-chloro-N-(4-chlorophenyl)-3-methyl-1-(2H-triazol-4-ylmethyl)pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-N-(4-methoxyphenyl)-1-[[1-[(4-methoxyphenyl)methyl]-5-methyltriazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-methoxyphenyl)-3-methyl-1-(2H-triazol-4-ylmethyl)pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-(2H-triazol-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine-5-carboxamide
CID 160269966
N-[[4-(2-azaspiro[3.3]heptan-2-yl)phenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-6-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;2-ethyl-N-[[2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-6-yl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide;2-ethyl-N-[[2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;2-methyl-N-[[4-[2-[4-(trifluoromethoxy)phenyl]-2,7-diazaspiro[3.4]octan-7-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 160362419
4-chloro-N-(4-chlorophenyl)-1-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-1-[(5-methoxy-3-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-[(6-methyl-2-pyridinyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[(5-methoxy-3-pyridinyl)methyl]-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-[(6-methyl-2-pyridinyl)methyl]-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 160927558

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-chlorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-methoxyphenyl)-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;N-(4-chlorophenyl)-4-methoxy-3-methyl-1-(2-piperazin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;methane?
The IUPAC name of 4-chloro-N-(4-chlorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-methoxyphenyl)-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;N-(4-chlorophenyl)-4-methoxy-3-methyl-1-(2-piperazin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;methane (CID 158461381) is 4-chloro-N-(4-chlorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-methoxyphenyl)-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;N-(4-chlorophenyl)-4-methoxy-3-methyl-1-(2-piperazin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;methane.
What is the SMILES notation for 4-chloro-N-(4-chlorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-methoxyphenyl)-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;N-(4-chlorophenyl)-4-methoxy-3-methyl-1-(2-piperazin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;methane?
The canonical SMILES for 4-chloro-N-(4-chlorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-methoxyphenyl)-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;N-(4-chlorophenyl)-4-methoxy-3-methyl-1-(2-piperazin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;methane is C.C.C.C.COc1c(C(=O)Nc2ccc(Cl)cc2)cnc2c1c(C)nn2CCN1CCNCC1.COc1ccc(Cn2cc(Cn3cc(C)c4c(Cl)c(C(=O)Nc5ccc(OC)cc5)cnc43)nn2)cc1.COc1ccc(Cn2cc(Cn3nc(C)c4c(Cl)c(C(=O)Nc5ccc(C(F)(F)F)cc5)cnc43)nn2)cc1.COc1ccc(Cn2cc(Cn3nc(C)c4c(Cl)c(C(=O)Nc5ccc(Cl)cc5)cnc43)nn2)cc1.
What is the InChIKey of 4-chloro-N-(4-chlorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-methoxyphenyl)-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;N-(4-chlorophenyl)-4-methoxy-3-methyl-1-(2-piperazin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;methane?
The InChIKey is HFFHKXVTJWCMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClN6O3.C26H21ClF3N7O2.C25H21Cl2N7O2.C21H25ClN6O2.4CH4/c1-17-13-33(15-20-16-34(32-31-20)14-18-4-8-21(36-2)9-5-18)26-24(17)25(28)23(12-29-26)27(35)30-19-6-10-22(37-3)11-7-19;1-15-22-23(27)21(25(38)32-18-7-5-17(6-8-18)26(28,29)30)11-31-24(22)37(34-15)14-19-13-36(35-33-19)12-16-3-9-20(39-2)10-4-16;1-15-22-23(27)21(25(35)29-18-7-5-17(26)6-8-18)11-28-24(22)34(31-15)14-19-13-33(32-30-19)12-16-3-9-20(36-2)10-4-16;1-14-18-19(30-2)17(21(29)25-16-5-3-15(22)4-6-16)13-24-20(18)28(26-14)12-11-27-9-7-23-8-10-27;;;;/h4-13,16H,14-15H2,1-3H3,(H,30,35);3-11,13H,12,14H2,1-2H3,(H,32,38);3-11,13H,12,14H2,1-2H3,(H,29,35);3-6,13,23H,7-12H2,1-2H3,(H,25,29);4*1H4.
What are the key properties of 4-chloro-N-(4-chlorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-methoxyphenyl)-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;N-(4-chlorophenyl)-4-methoxy-3-methyl-1-(2-piperazin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;methane?
4-chloro-N-(4-chlorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-methoxyphenyl)-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;N-(4-chlorophenyl)-4-methoxy-3-methyl-1-(2-piperazin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;methane has a molecular weight of 2088.43 g/mol, XLogP of 20.42, 28 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-chlorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-methoxyphenyl)-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;N-(4-chlorophenyl)-4-methoxy-3-methyl-1-(2-piperazin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;methane is sourced from PubChem (CID 158461381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).