N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]pentan-2-yl]-2-(1H-indol-3-yl)acetamide

C32H35FN4O — CID 68794250

About N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]pentan-2-yl]-2-(1H-indol-3-yl)acetamide

N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]pentan-2-yl]-2-(1H-indol-3-yl)acetamide (PubChem CID 68794250) has the molecular formula C32H35FN4O and a molecular weight of 510.66 g/mol. Its IUPAC name is N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]pentan-2-yl]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

• Compound Name: N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]pentan-2-yl]-2-(1H-indol-3-yl)acetamide
• PubChem CID: 68794250
• Molecular Formula: C32H35FN4O
• Molecular Weight: 510.66 g/mol
• Exact Mass: 510.28
• IUPAC Name: N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]pentan-2-yl]-2-(1H-indol-3-yl)acetamide
• SMILES: CCCC(C[C@H]1CCC2=C1[C@@H](C)c1cnn(-c3ccc(F)cc3)c1C2)NC(=O)Cc1c[nH]c2ccccc12
• InChI: InChI=1S/C32H35FN4O/c1-3-6-25(36-31(38)17-23-18-34-29-8-5-4-7-27(23)29)15-21-9-10-22-16-30-28(20(2)32(21)22)19-35-37(30)26-13-11-24(33)12-14-26/h4-5,7-8,11-14,18-21,25,34H,3,6,9-10,15-17H2,1-2H3,(H,36,38)/t20-,21+,25?/m0/s1
• InChIKey: TUOOTTFJMCIRCS-SXNCYPNXSA-N
• XLogP: 6.78
• TPSA: 62.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.66
LogP ≤ 5	6.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]pentan-2-yl]-2-(1H-indol-3-yl)acetamide (CID 68794250) is N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]pentan-2-yl]-2-(1H-indol-3-yl)acetamide.

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

The canonical SMILES for N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]pentan-2-yl]-2-(1H-indol-3-yl)acetamide is CCCC(C[C@H]1CCC2=C1[C@@H](C)c1cnn(-c3ccc(F)cc3)c1C2)NC(=O)Cc1c[nH]c2ccccc12.

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

The InChIKey is TUOOTTFJMCIRCS-SXNCYPNXSA-N. The full InChI is InChI=1S/C32H35FN4O/c1-3-6-25(36-31(38)17-23-18-34-29-8-5-4-7-27(23)29)15-21-9-10-22-16-30-28(20(2)32(21)22)19-35-37(30)26-13-11-24(33)12-14-26/h4-5,7-8,11-14,18-21,25,34H,3,6,9-10,15-17H2,1-2H3,(H,36,38)/t20-,21+,25?/m0/s1.

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

N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]pentan-2-yl]-2-(1H-indol-3-yl)acetamide has a molecular weight of 510.66 g/mol, XLogP of 6.78, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]pentan-2-yl]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 68794250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).