4-chloro-N-(4-chlorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]-5-methyltriazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;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-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;methane

C114H114Cl7F3N32O9 — CID 162108185

IUPAC4-chloro-N-(4-chlorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]-5-methyltriazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;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-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;methane
SMILESC.C.C.C.C.COc1ccc(Cn2nnc(Cn3nc(C)c4c(Cl)c(C(=O)Nc5ccc(Cl)cc5)cnc43)c2C)cc1.COc1ccc(Cn2nnc(Cn3nc(C)c4c(Cl)c(C(=O)Nc5ccc(OC)cc5)cnc43)c2C)cc1.COc1ccc(NC(=O)c2cnc3c(c(C)cn3Cc3cn[nH]n3)c2Cl)cc1.Cc1cn(Cc2cn[nH]n2)c2ncc(C(=O)Nc3ccc(C(F)(F)F)cc3)c(Cl)c12.Cc1cn(Cc2cn[nH]n2)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12
InChIInChI=1S/C27H26ClN7O3.C26H23Cl2N7O2.C19H14ClF3N6O.C19H17ClN6O2.C18H14Cl2N6O.5CH4/c1-16-24-25(28)22(27(36)30-19-7-11-21(38-4)12-8-19)13-29-26(24)35(32-16)15-23-17(2)34(33-31-23)14-18-5-9-20(37-3)10-6-18;1-15-23-24(28)21(26(36)30-19-8-6-18(27)7-9-19)12-29-25(23)35(32-15)14-22-16(2)34(33-31-22)13-17-4-10-20(37-3)11-5-17;1-10-8-29(9-13-6-25-28-27-13)17-15(10)16(20)14(7-24-17)18(30)26-12-4-2-11(3-5-12)19(21,22)23;1-11-9-26(10-13-7-22-25-24-13)18-16(11)17(20)15(8-21-18)19(27)23-12-3-5-14(28-2)6-4-12;1-10-8-26(9-13-6-22-25-24-13)17-15(10)16(20)14(7-21-17)18(27)23-12-4-2-11(19)3-5-12;;;;;/h5-13H,14-15H2,1-4H3,(H,30,36);4-12H,13-14H2,1-3H3,(H,30,36);2-8H,9H2,1H3,(H,26,30)(H,25,27,28);3-9H,10H2,1-2H3,(H,23,27)(H,22,24,25);2-8H,9H2,1H3,(H,23,27)(H,22,24,25);5*1H4
InChIKeyZFUCPKDOPVFEDE-UHFFFAOYSA-N
MW2381.55 g/mol
LogP25.07
Rot. Bonds28

About 4-chloro-N-(4-chlorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]-5-methyltriazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;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-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;methane

4-chloro-N-(4-chlorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]-5-methyltriazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;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-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;methane (PubChem CID 162108185) has the molecular formula C114H114Cl7F3N32O9 and a molecular weight of 2381.55 g/mol. Its IUPAC name is 4-chloro-N-(4-chlorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]-5-methyltriazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;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-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;methane.

Molecular Properties

Compound Name4-chloro-N-(4-chlorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]-5-methyltriazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;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-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;methane
PubChem CID162108185
Molecular FormulaC114H114Cl7F3N32O9
Molecular Weight2381.55 g/mol
Exact Mass2376.72
IUPAC Name4-chloro-N-(4-chlorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]-5-methyltriazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;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-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;methane
SMILESC.C.C.C.C.COc1ccc(Cn2nnc(Cn3nc(C)c4c(Cl)c(C(=O)Nc5ccc(Cl)cc5)cnc43)c2C)cc1.COc1ccc(Cn2nnc(Cn3nc(C)c4c(Cl)c(C(=O)Nc5ccc(OC)cc5)cnc43)c2C)cc1.COc1ccc(NC(=O)c2cnc3c(c(C)cn3Cc3cn[nH]n3)c2Cl)cc1.Cc1cn(Cc2cn[nH]n2)c2ncc(C(=O)Nc3ccc(C(F)(F)F)cc3)c(Cl)c12.Cc1cn(Cc2cn[nH]n2)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12
InChIInChI=1S/C27H26ClN7O3.C26H23Cl2N7O2.C19H14ClF3N6O.C19H17ClN6O2.C18H14Cl2N6O.5CH4/c1-16-24-25(28)22(27(36)30-19-7-11-21(38-4)12-8-19)13-29-26(24)35(32-16)15-23-17(2)34(33-31-23)14-18-5-9-20(37-3)10-6-18;1-15-23-24(28)21(26(36)30-19-8-6-18(27)7-9-19)12-29-25(23)35(32-15)14-22-16(2)34(33-31-22)13-17-4-10-20(37-3)11-5-17;1-10-8-29(9-13-6-25-28-27-13)17-15(10)16(20)14(7-24-17)18(30)26-12-4-2-11(3-5-12)19(21,22)23;1-11-9-26(10-13-7-22-25-24-13)18-16(11)17(20)15(8-21-18)19(27)23-12-3-5-14(28-2)6-4-12;1-10-8-26(9-13-6-22-25-24-13)17-15(10)16(20)14(7-21-17)18(27)23-12-4-2-11(19)3-5-12;;;;;/h5-13H,14-15H2,1-4H3,(H,30,36);4-12H,13-14H2,1-3H3,(H,30,36);2-8H,9H2,1H3,(H,26,30)(H,25,27,28);3-9H,10H2,1-2H3,(H,23,27)(H,22,24,25);2-8H,9H2,1H3,(H,23,27)(H,22,24,25);5*1H4
InChIKeyZFUCPKDOPVFEDE-UHFFFAOYSA-N
XLogP25.07
TPSA483.43 Ų
H-Bond Donors8
H-Bond Acceptors33
Rotatable Bonds28
Heavy Atoms165
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002381.55
LogP ≤ 525.07
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1033

Analyze 4-chloro-N-(4-chlorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]-5-methyltriazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;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-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;methane with MolForge

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Related Compounds

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US10272074, Example 419
CID 122442899
US10272074, Example 418
CID 122442641
US10272074, Example 424
CID 122442653
US10272074, Example 453
CID 122442658
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
N-(4-chlorophenyl)-6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;1-[6-[4-(difluoromethoxy)-3-fluoroanilino]pyrazin-2-yl]-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-ethylimidazo[4,5-b]pyridin-6-amine;6-(2-ethyl-5-fluoropyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(4-methoxyphenyl)pyrazin-2-amine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(4-methylphenyl)pyrazin-2-amine
CID 157131555
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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-chlorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]-5-methyltriazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;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-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;methane?
The IUPAC name of 4-chloro-N-(4-chlorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]-5-methyltriazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;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-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;methane (CID 162108185) is 4-chloro-N-(4-chlorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]-5-methyltriazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;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-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;methane.
What is the SMILES notation for 4-chloro-N-(4-chlorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]-5-methyltriazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;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-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;methane?
The canonical SMILES for 4-chloro-N-(4-chlorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]-5-methyltriazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;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-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;methane is C.C.C.C.C.COc1ccc(Cn2nnc(Cn3nc(C)c4c(Cl)c(C(=O)Nc5ccc(Cl)cc5)cnc43)c2C)cc1.COc1ccc(Cn2nnc(Cn3nc(C)c4c(Cl)c(C(=O)Nc5ccc(OC)cc5)cnc43)c2C)cc1.COc1ccc(NC(=O)c2cnc3c(c(C)cn3Cc3cn[nH]n3)c2Cl)cc1.Cc1cn(Cc2cn[nH]n2)c2ncc(C(=O)Nc3ccc(C(F)(F)F)cc3)c(Cl)c12.Cc1cn(Cc2cn[nH]n2)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12.
What is the InChIKey of 4-chloro-N-(4-chlorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]-5-methyltriazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;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-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;methane?
The InChIKey is ZFUCPKDOPVFEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN7O3.C26H23Cl2N7O2.C19H14ClF3N6O.C19H17ClN6O2.C18H14Cl2N6O.5CH4/c1-16-24-25(28)22(27(36)30-19-7-11-21(38-4)12-8-19)13-29-26(24)35(32-16)15-23-17(2)34(33-31-23)14-18-5-9-20(37-3)10-6-18;1-15-23-24(28)21(26(36)30-19-8-6-18(27)7-9-19)12-29-25(23)35(32-15)14-22-16(2)34(33-31-22)13-17-4-10-20(37-3)11-5-17;1-10-8-29(9-13-6-25-28-27-13)17-15(10)16(20)14(7-24-17)18(30)26-12-4-2-11(3-5-12)19(21,22)23;1-11-9-26(10-13-7-22-25-24-13)18-16(11)17(20)15(8-21-18)19(27)23-12-3-5-14(28-2)6-4-12;1-10-8-26(9-13-6-22-25-24-13)17-15(10)16(20)14(7-21-17)18(27)23-12-4-2-11(19)3-5-12;;;;;/h5-13H,14-15H2,1-4H3,(H,30,36);4-12H,13-14H2,1-3H3,(H,30,36);2-8H,9H2,1H3,(H,26,30)(H,25,27,28);3-9H,10H2,1-2H3,(H,23,27)(H,22,24,25);2-8H,9H2,1H3,(H,23,27)(H,22,24,25);5*1H4.
What are the key properties of 4-chloro-N-(4-chlorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]-5-methyltriazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;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-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;methane?
4-chloro-N-(4-chlorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]-5-methyltriazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;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-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;methane has a molecular weight of 2381.55 g/mol, XLogP of 25.07, 28 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-chlorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]-5-methyltriazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;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-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;methane is sourced from PubChem (CID 162108185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).