N-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-2-oxo-1H-pyridine-3-carboxamide

About N-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-2-oxo-1H-pyridine-3-carboxamide

N-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 68790071) has the molecular formula C31H29FN4O2 and a molecular weight of 508.60 g/mol. Its IUPAC name is N-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name	N-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID	68790071
Molecular Formula	C31H29FN4O2
Molecular Weight	508.60 g/mol
Exact Mass	508.23
IUPAC Name	N-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-2-oxo-1H-pyridine-3-carboxamide
SMILES	C[C@@H]1C2=C(CC[C@@H]2CC(NC(=O)c2ccc[nH]c2=O)c2ccccc2)Cc2c1cnn2-c1ccc(F)cc1
InChI	InChI=1S/C31H29FN4O2/c1-19-26-18-34-36(24-13-11-23(32)12-14-24)28(26)17-22-10-9-21(29(19)22)16-27(20-6-3-2-4-7-20)35-31(38)25-8-5-15-33-30(25)37/h2-8,11-15,18-19,21,27H,9-10,16-17H2,1H3,(H,33,37)(H,35,38)/t19-,21+,27?/m0/s1
InChIKey	GIWQUDKDAFYBSW-WTULVLTMSA-N
XLogP	5.63
TPSA	79.78 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	6
Heavy Atoms	38
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.60
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-2-oxo-1H-pyridine-3-carboxamide?

The IUPAC name of N-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-2-oxo-1H-pyridine-3-carboxamide (CID 68790071) is N-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-2-oxo-1H-pyridine-3-carboxamide.

What is the SMILES notation for N-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-2-oxo-1H-pyridine-3-carboxamide?

The canonical SMILES for N-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-2-oxo-1H-pyridine-3-carboxamide is C[C@@H]1C2=C(CC[C@@H]2CC(NC(=O)c2ccc[nH]c2=O)c2ccccc2)Cc2c1cnn2-c1ccc(F)cc1.

What is the InChIKey of N-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-2-oxo-1H-pyridine-3-carboxamide?

The InChIKey is GIWQUDKDAFYBSW-WTULVLTMSA-N. The full InChI is InChI=1S/C31H29FN4O2/c1-19-26-18-34-36(24-13-11-23(32)12-14-24)28(26)17-22-10-9-21(29(19)22)16-27(20-6-3-2-4-7-20)35-31(38)25-8-5-15-33-30(25)37/h2-8,11-15,18-19,21,27H,9-10,16-17H2,1H3,(H,33,37)(H,35,38)/t19-,21+,27?/m0/s1.

What are the key properties of N-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-2-oxo-1H-pyridine-3-carboxamide?

N-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 508.60 g/mol, XLogP of 5.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 68790071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).