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

C66H58Cl3F3N12O5 — CID 145131124

IUPAC6-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
SMILESCC.COCCc1ccc(NC(=O)c2cnc3c(c(C)nn3-c3ccccc3)c2Cl)cc1.Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c(Cl)c12.[H]/N=C(\C)c1c(Nc2ccccc2)ncc(C(=O)Nc2ccccc2)c1Cl
InChIInChI=1S/C23H21ClN4O2.C21H14ClF3N4O2.C20H17ClN4O.C2H6/c1-15-20-21(24)19(14-25-22(20)28(27-15)18-6-4-3-5-7-18)23(29)26-17-10-8-16(9-11-17)12-13-30-2;1-12-17-18(22)16(11-26-19(17)29(28-12)14-5-3-2-4-6-14)20(30)27-13-7-9-15(10-8-13)31-21(23,24)25;1-13(22)17-18(21)16(20(26)25-15-10-6-3-7-11-15)12-23-19(17)24-14-8-4-2-5-9-14;1-2/h3-11,14H,12-13H2,1-2H3,(H,26,29);2-11H,1H3,(H,27,30);2-12,22H,1H3,(H,23,24)(H,25,26);1-2H3/b;;22-13+;
InChIKeyBZRBBWXUMUWREJ-KTLNGHOGSA-N
MW1262.62 g/mol
LogP16.50
Rot. Bonds15

About 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

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 (PubChem CID 145131124) has the molecular formula C66H58Cl3F3N12O5 and a molecular weight of 1262.62 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID145131124
Molecular FormulaC66H58Cl3F3N12O5
Molecular Weight1262.62 g/mol
Exact Mass1260.37
IUPAC Name6-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
SMILESCC.COCCc1ccc(NC(=O)c2cnc3c(c(C)nn3-c3ccccc3)c2Cl)cc1.Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c(Cl)c12.[H]/N=C(\C)c1c(Nc2ccccc2)ncc(C(=O)Nc2ccccc2)c1Cl
InChIInChI=1S/C23H21ClN4O2.C21H14ClF3N4O2.C20H17ClN4O.C2H6/c1-15-20-21(24)19(14-25-22(20)28(27-15)18-6-4-3-5-7-18)23(29)26-17-10-8-16(9-11-17)12-13-30-2;1-12-17-18(22)16(11-26-19(17)29(28-12)14-5-3-2-4-6-14)20(30)27-13-7-9-15(10-8-13)31-21(23,24)25;1-13(22)17-18(21)16(20(26)25-15-10-6-3-7-11-15)12-23-19(17)24-14-8-4-2-5-9-14;1-2/h3-11,14H,12-13H2,1-2H3,(H,26,29);2-11H,1H3,(H,27,30);2-12,22H,1H3,(H,23,24)(H,25,26);1-2H3/b;;22-13+;
InChIKeyBZRBBWXUMUWREJ-KTLNGHOGSA-N
XLogP16.50
TPSA215.95 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds15
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001262.62
LogP ≤ 516.50
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

2-amino-N-[1-[1-[3-[benzoyl(methyl)amino]propyl]piperidin-4-yl]-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522434
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522598
2-amino-N-[1-[1-(3-benzamidopropyl)piperidin-4-yl]-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522778
US10272074, Example 49
CID 7626844
4-chloro-3-methyl-1-phenyl-N-[4-(trifluoromethoxy)phenyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 18583510
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[4-[4-[(1-cyanocyclohexyl)methyl-methylamino]piperidine-1-carbonyl]phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522328
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[4-[4-[methyl(2,2,2-trifluoroethyl)amino]piperidine-1-carbonyl]phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118523223
US10272074, Example 355
CID 122442698
US10272074, Example 279
CID 122442760
US10272074, Example 425
CID 122442843
US10272074, Example 419
CID 122442899
US10272074, Example 101
CID 122457071

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC.COCCc1ccc(NC(=O)c2cnc3c(c(C)nn3-c3ccccc3)c2Cl)cc1.Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c(Cl)c12.[H]/N=C(\C)c1c(Nc2ccccc2)ncc(C(=O)Nc2ccccc2)c1Cl.
What is the InChIKey of 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?
The InChIKey is BZRBBWXUMUWREJ-KTLNGHOGSA-N. The full InChI is InChI=1S/C23H21ClN4O2.C21H14ClF3N4O2.C20H17ClN4O.C2H6/c1-15-20-21(24)19(14-25-22(20)28(27-15)18-6-4-3-5-7-18)23(29)26-17-10-8-16(9-11-17)12-13-30-2;1-12-17-18(22)16(11-26-19(17)29(28-12)14-5-3-2-4-6-14)20(30)27-13-7-9-15(10-8-13)31-21(23,24)25;1-13(22)17-18(21)16(20(26)25-15-10-6-3-7-11-15)12-23-19(17)24-14-8-4-2-5-9-14;1-2/h3-11,14H,12-13H2,1-2H3,(H,26,29);2-11H,1H3,(H,27,30);2-12,22H,1H3,(H,23,24)(H,25,26);1-2H3/b;;22-13+;.
What are the key properties of 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?
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 has a molecular weight of 1262.62 g/mol, XLogP of 16.50, 15 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 145131124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).