(2S)-N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]pentan-2-yl]-1-methylpyrrolidine-2-carboxamide

C28H37FN4O — CID 68758894

About (2S)-N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]pentan-2-yl]-1-methylpyrrolidine-2-carboxamide

(2S)-N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]pentan-2-yl]-1-methylpyrrolidine-2-carboxamide (PubChem CID 68758894) has the molecular formula C28H37FN4O and a molecular weight of 464.63 g/mol. Its IUPAC name is (2S)-N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]pentan-2-yl]-1-methylpyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2S)-N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]pentan-2-yl]-1-methylpyrrolidine-2-carboxamide
• PubChem CID: 68758894
• Molecular Formula: C28H37FN4O
• Molecular Weight: 464.63 g/mol
• Exact Mass: 464.30
• IUPAC Name: (2S)-N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]pentan-2-yl]-1-methylpyrrolidine-2-carboxamide
• SMILES: CCCC(C[C@H]1CCC2=C1[C@@H](C)c1cnn(-c3ccc(F)cc3)c1C2)NC(=O)[C@@H]1CCCN1C
• InChI: InChI=1S/C28H37FN4O/c1-4-6-22(31-28(34)25-7-5-14-32(25)3)15-19-8-9-20-16-26-24(18(2)27(19)20)17-30-33(26)23-12-10-21(29)11-13-23/h10-13,17-19,22,25H,4-9,14-16H2,1-3H3,(H,31,34)/t18-,19+,22?,25-/m0/s1
• InChIKey: ASXNLDFCZOGYQR-JOAXTPTHSA-N
• XLogP: 5.15
• TPSA: 50.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.63
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (2S)-N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]pentan-2-yl]-1-methylpyrrolidine-2-carboxamide (CID 68758894) is (2S)-N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]pentan-2-yl]-1-methylpyrrolidine-2-carboxamide.

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

The canonical SMILES for (2S)-N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]pentan-2-yl]-1-methylpyrrolidine-2-carboxamide is CCCC(C[C@H]1CCC2=C1[C@@H](C)c1cnn(-c3ccc(F)cc3)c1C2)NC(=O)[C@@H]1CCCN1C.

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

The InChIKey is ASXNLDFCZOGYQR-JOAXTPTHSA-N. The full InChI is InChI=1S/C28H37FN4O/c1-4-6-22(31-28(34)25-7-5-14-32(25)3)15-19-8-9-20-16-26-24(18(2)27(19)20)17-30-33(26)23-12-10-21(29)11-13-23/h10-13,17-19,22,25H,4-9,14-16H2,1-3H3,(H,31,34)/t18-,19+,22?,25-/m0/s1.

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

(2S)-N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]pentan-2-yl]-1-methylpyrrolidine-2-carboxamide has a molecular weight of 464.63 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]pentan-2-yl]-1-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 68758894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).