6-(6,6-dimethyl-4-oxo-3-phenyl-5,7-dihydroindazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide

C29H27FN4O2 — CID 139213065

IUPAC6-(6,6-dimethyl-4-oxo-3-phenyl-5,7-dihydroindazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
SMILESCN(Cc1ccc(F)cc1)C(=O)c1ccc(-n2nc(-c3ccccc3)c3c2CC(C)(C)CC3=O)nc1
InChIInChI=1S/C29H27FN4O2/c1-29(2)15-23-26(24(35)16-29)27(20-7-5-4-6-8-20)32-34(23)25-14-11-21(17-31-25)28(36)33(3)18-19-9-12-22(30)13-10-19/h4-14,17H,15-16,18H2,1-3H3
InChIKeyZRVSKMIJEWGYCQ-UHFFFAOYSA-N
MW482.56 g/mol
LogP5.50
Rot. Bonds5

About 6-(6,6-dimethyl-4-oxo-3-phenyl-5,7-dihydroindazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide

6-(6,6-dimethyl-4-oxo-3-phenyl-5,7-dihydroindazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide (PubChem CID 139213065) has the molecular formula C29H27FN4O2 and a molecular weight of 482.56 g/mol. Its IUPAC name is 6-(6,6-dimethyl-4-oxo-3-phenyl-5,7-dihydroindazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(6,6-dimethyl-4-oxo-3-phenyl-5,7-dihydroindazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
PubChem CID139213065
Molecular FormulaC29H27FN4O2
Molecular Weight482.56 g/mol
Exact Mass482.21
IUPAC Name6-(6,6-dimethyl-4-oxo-3-phenyl-5,7-dihydroindazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
SMILESCN(Cc1ccc(F)cc1)C(=O)c1ccc(-n2nc(-c3ccccc3)c3c2CC(C)(C)CC3=O)nc1
InChIInChI=1S/C29H27FN4O2/c1-29(2)15-23-26(24(35)16-29)27(20-7-5-4-6-8-20)32-34(23)25-14-11-21(17-31-25)28(36)33(3)18-19-9-12-22(30)13-10-19/h4-14,17H,15-16,18H2,1-3H3
InChIKeyZRVSKMIJEWGYCQ-UHFFFAOYSA-N
XLogP5.50
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.56
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-4-[6,6-dimethyl-4-oxo-3-[4-(trifluoromethyl)phenyl]-5,7-dihydroindazol-1-yl]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 139213019
6-[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-5,7-dihydroindazol-1-yl]-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 139254199
6-[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-5,7-dihydroindazol-1-yl]-N-(2-methoxyethyl)-N-methylpyridine-3-carboxamide
CID 139213045
6-[6,6-dimethyl-4-oxo-3-[4-(trifluoromethyl)phenyl]-5,7-dihydroindazol-1-yl]-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 139254189
N-benzyl-4-fluoro-N-methylbenzamide
CID 669229
6-[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-5,7-dihydroindazol-1-yl]-N-propylpyridine-3-carboxamide
CID 139254192
N-benzyl-4-(3-but-3-enyl-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl)-N-methyl-3-nitrobenzamide
CID 139212937
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-6-pyrazol-1-ylpyridine-3-carboxamide
CID 55531708
N-benzyl-1-ethyl-3-(4-fluorophenyl)-N-methyl-4-pyridin-4-ylpyrazole-5-carboxamide
CID 57467732
4-(6,6-dimethyl-4-oxo-3-phenyl-5,7-dihydroindazol-1-yl)-N-(2-methoxyethyl)-3-nitrobenzamide
CID 139254087
N-[(4-fluorophenyl)methyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 4803573
4-fluoro-N-[(E)-(3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-ylidene)amino]benzamide
CID 18833554

Frequently Asked Questions

What is the IUPAC name of 6-(6,6-dimethyl-4-oxo-3-phenyl-5,7-dihydroindazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 6-(6,6-dimethyl-4-oxo-3-phenyl-5,7-dihydroindazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide (CID 139213065) is 6-(6,6-dimethyl-4-oxo-3-phenyl-5,7-dihydroindazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-(6,6-dimethyl-4-oxo-3-phenyl-5,7-dihydroindazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 6-(6,6-dimethyl-4-oxo-3-phenyl-5,7-dihydroindazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide is CN(Cc1ccc(F)cc1)C(=O)c1ccc(-n2nc(-c3ccccc3)c3c2CC(C)(C)CC3=O)nc1.
What is the InChIKey of 6-(6,6-dimethyl-4-oxo-3-phenyl-5,7-dihydroindazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide?
The InChIKey is ZRVSKMIJEWGYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27FN4O2/c1-29(2)15-23-26(24(35)16-29)27(20-7-5-4-6-8-20)32-34(23)25-14-11-21(17-31-25)28(36)33(3)18-19-9-12-22(30)13-10-19/h4-14,17H,15-16,18H2,1-3H3.
What are the key properties of 6-(6,6-dimethyl-4-oxo-3-phenyl-5,7-dihydroindazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide?
6-(6,6-dimethyl-4-oxo-3-phenyl-5,7-dihydroindazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide has a molecular weight of 482.56 g/mol, XLogP of 5.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6,6-dimethyl-4-oxo-3-phenyl-5,7-dihydroindazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 139213065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).