N-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-2-methyl-2-phenylpropanamide;N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-phenylcyclopropane-1-carboxamide;1-(3-methoxyphenyl)-N-[4-(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]cyclopropane-1-carboxamide;N-[4-(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

C99H93F3N16O5 — CID 157285032

IUPACN-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-2-methyl-2-phenylpropanamide;N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-phenylcyclopropane-1-carboxamide;1-(3-methoxyphenyl)-N-[4-(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]cyclopropane-1-carboxamide;N-[4-(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESCOc1cccc(C2(C(=O)Nc3ccc(-c4cc(C)nc5[nH]ncc45)cc3)CC2)c1.Cc1cc(-c2ccc(NC(=O)C3(c4cccc(C(F)(F)F)c4)CC3)cc2)c2cn[nH]c2n1.Cc1cc(-c2ccc(NC(=O)C3(c4ccccc4)CC3)cc2)c2cnn(C)c2n1.Cn1ncc2c(-c3ccc(NC(=O)C(C)(C)c4ccccc4)cc3)cc(C(C)(C)C)nc21
InChIInChI=1S/C27H30N4O.C24H19F3N4O.C24H22N4O2.C24H22N4O/c1-26(2,3)23-16-21(22-17-28-31(6)24(22)30-23)18-12-14-20(15-13-18)29-25(32)27(4,5)19-10-8-7-9-11-19;1-14-11-19(20-13-28-31-21(20)29-14)15-5-7-18(8-6-15)30-22(32)23(9-10-23)16-3-2-4-17(12-16)24(25,26)27;1-15-12-20(21-14-25-28-22(21)26-15)16-6-8-18(9-7-16)27-23(29)24(10-11-24)17-4-3-5-19(13-17)30-2;1-16-14-20(21-15-25-28(2)22(21)26-16)17-8-10-19(11-9-17)27-23(29)24(12-13-24)18-6-4-3-5-7-18/h7-17H,1-6H3,(H,29,32);2-8,11-13H,9-10H2,1H3,(H,30,32)(H,28,29,31);3-9,12-14H,10-11H2,1-2H3,(H,27,29)(H,25,26,28);3-11,14-15H,12-13H2,1-2H3,(H,27,29)
InChIKeyBACWXYDNUKTZJG-UHFFFAOYSA-N
MW1643.93 g/mol
LogP20.70
Rot. Bonds17

About N-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-2-methyl-2-phenylpropanamide;N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-phenylcyclopropane-1-carboxamide;1-(3-methoxyphenyl)-N-[4-(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]cyclopropane-1-carboxamide;N-[4-(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

N-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-2-methyl-2-phenylpropanamide;N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-phenylcyclopropane-1-carboxamide;1-(3-methoxyphenyl)-N-[4-(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]cyclopropane-1-carboxamide;N-[4-(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 157285032) has the molecular formula C99H93F3N16O5 and a molecular weight of 1643.93 g/mol. Its IUPAC name is N-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-2-methyl-2-phenylpropanamide;N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-phenylcyclopropane-1-carboxamide;1-(3-methoxyphenyl)-N-[4-(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]cyclopropane-1-carboxamide;N-[4-(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-2-methyl-2-phenylpropanamide;N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-phenylcyclopropane-1-carboxamide;1-(3-methoxyphenyl)-N-[4-(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]cyclopropane-1-carboxamide;N-[4-(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID157285032
Molecular FormulaC99H93F3N16O5
Molecular Weight1643.93 g/mol
Exact Mass1642.75
IUPAC NameN-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-2-methyl-2-phenylpropanamide;N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-phenylcyclopropane-1-carboxamide;1-(3-methoxyphenyl)-N-[4-(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]cyclopropane-1-carboxamide;N-[4-(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESCOc1cccc(C2(C(=O)Nc3ccc(-c4cc(C)nc5[nH]ncc45)cc3)CC2)c1.Cc1cc(-c2ccc(NC(=O)C3(c4cccc(C(F)(F)F)c4)CC3)cc2)c2cn[nH]c2n1.Cc1cc(-c2ccc(NC(=O)C3(c4ccccc4)CC3)cc2)c2cnn(C)c2n1.Cn1ncc2c(-c3ccc(NC(=O)C(C)(C)c4ccccc4)cc3)cc(C(C)(C)C)nc21
InChIInChI=1S/C27H30N4O.C24H19F3N4O.C24H22N4O2.C24H22N4O/c1-26(2,3)23-16-21(22-17-28-31(6)24(22)30-23)18-12-14-20(15-13-18)29-25(32)27(4,5)19-10-8-7-9-11-19;1-14-11-19(20-13-28-31-21(20)29-14)15-5-7-18(8-6-15)30-22(32)23(9-10-23)16-3-2-4-17(12-16)24(25,26)27;1-15-12-20(21-14-25-28-22(21)26-15)16-6-8-18(9-7-16)27-23(29)24(10-11-24)17-4-3-5-19(13-17)30-2;1-16-14-20(21-15-25-28(2)22(21)26-16)17-8-10-19(11-9-17)27-23(29)24(12-13-24)18-6-4-3-5-7-18/h7-17H,1-6H3,(H,29,32);2-8,11-13H,9-10H2,1H3,(H,30,32)(H,28,29,31);3-9,12-14H,10-11H2,1-2H3,(H,27,29)(H,25,26,28);3-11,14-15H,12-13H2,1-2H3,(H,27,29)
InChIKeyBACWXYDNUKTZJG-UHFFFAOYSA-N
XLogP20.70
TPSA270.19 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds17
Heavy Atoms123
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001643.93
LogP ≤ 520.70
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Analyze N-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-2-methyl-2-phenylpropanamide;N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-phenylcyclopropane-1-carboxamide;1-(3-methoxyphenyl)-N-[4-(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]cyclopropane-1-carboxamide;N-[4-(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

N-[5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 136937439
N-[5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 136946086
2-cyclohexyl-N-[5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide
CID 136946093
N-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 136946359
N-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 137040750
N-[5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 137135827
N-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 137283006
N-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 138604171
2-cyclohexyl-N-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide
CID 138604328
N-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 138604423
N-(3,5-difluorophenyl)-8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(3,5-difluorophenyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(3-fluorophenyl)-8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(3-methoxyphenyl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(3-methoxyphenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(3-methoxyphenyl)-N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 157068880
N-(3,5-difluorophenyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(3-fluorophenyl)-8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(2-fluorophenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(3-fluorophenyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(4-fluorophenyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2-methyl-4-pyridinyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-phenyl-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 157307599

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-2-methyl-2-phenylpropanamide;N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-phenylcyclopropane-1-carboxamide;1-(3-methoxyphenyl)-N-[4-(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]cyclopropane-1-carboxamide;N-[4-(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of N-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-2-methyl-2-phenylpropanamide;N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-phenylcyclopropane-1-carboxamide;1-(3-methoxyphenyl)-N-[4-(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]cyclopropane-1-carboxamide;N-[4-(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (CID 157285032) is N-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-2-methyl-2-phenylpropanamide;N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-phenylcyclopropane-1-carboxamide;1-(3-methoxyphenyl)-N-[4-(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]cyclopropane-1-carboxamide;N-[4-(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-2-methyl-2-phenylpropanamide;N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-phenylcyclopropane-1-carboxamide;1-(3-methoxyphenyl)-N-[4-(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]cyclopropane-1-carboxamide;N-[4-(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-2-methyl-2-phenylpropanamide;N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-phenylcyclopropane-1-carboxamide;1-(3-methoxyphenyl)-N-[4-(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]cyclopropane-1-carboxamide;N-[4-(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is COc1cccc(C2(C(=O)Nc3ccc(-c4cc(C)nc5[nH]ncc45)cc3)CC2)c1.Cc1cc(-c2ccc(NC(=O)C3(c4cccc(C(F)(F)F)c4)CC3)cc2)c2cn[nH]c2n1.Cc1cc(-c2ccc(NC(=O)C3(c4ccccc4)CC3)cc2)c2cnn(C)c2n1.Cn1ncc2c(-c3ccc(NC(=O)C(C)(C)c4ccccc4)cc3)cc(C(C)(C)C)nc21.
What is the InChIKey of N-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-2-methyl-2-phenylpropanamide;N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-phenylcyclopropane-1-carboxamide;1-(3-methoxyphenyl)-N-[4-(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]cyclopropane-1-carboxamide;N-[4-(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is BACWXYDNUKTZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O.C24H19F3N4O.C24H22N4O2.C24H22N4O/c1-26(2,3)23-16-21(22-17-28-31(6)24(22)30-23)18-12-14-20(15-13-18)29-25(32)27(4,5)19-10-8-7-9-11-19;1-14-11-19(20-13-28-31-21(20)29-14)15-5-7-18(8-6-15)30-22(32)23(9-10-23)16-3-2-4-17(12-16)24(25,26)27;1-15-12-20(21-14-25-28-22(21)26-15)16-6-8-18(9-7-16)27-23(29)24(10-11-24)17-4-3-5-19(13-17)30-2;1-16-14-20(21-15-25-28(2)22(21)26-16)17-8-10-19(11-9-17)27-23(29)24(12-13-24)18-6-4-3-5-7-18/h7-17H,1-6H3,(H,29,32);2-8,11-13H,9-10H2,1H3,(H,30,32)(H,28,29,31);3-9,12-14H,10-11H2,1-2H3,(H,27,29)(H,25,26,28);3-11,14-15H,12-13H2,1-2H3,(H,27,29).
What are the key properties of N-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-2-methyl-2-phenylpropanamide;N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-phenylcyclopropane-1-carboxamide;1-(3-methoxyphenyl)-N-[4-(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]cyclopropane-1-carboxamide;N-[4-(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
N-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-2-methyl-2-phenylpropanamide;N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-phenylcyclopropane-1-carboxamide;1-(3-methoxyphenyl)-N-[4-(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]cyclopropane-1-carboxamide;N-[4-(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 1643.93 g/mol, XLogP of 20.70, 17 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-2-methyl-2-phenylpropanamide;N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-phenylcyclopropane-1-carboxamide;1-(3-methoxyphenyl)-N-[4-(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]cyclopropane-1-carboxamide;N-[4-(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 157285032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).