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

C29H33FN4O — CID 68760570

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-pyridin-2-ylacetamide

N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]pentan-2-yl]-2-pyridin-2-ylacetamide (PubChem CID 68760570) has the molecular formula C29H33FN4O and a molecular weight of 472.61 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-pyridin-2-ylacetamide.

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-pyridin-2-ylacetamide
• PubChem CID: 68760570
• Molecular Formula: C29H33FN4O
• Molecular Weight: 472.61 g/mol
• Exact Mass: 472.26
• 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-pyridin-2-ylacetamide
• SMILES: CCCC(C[C@H]1CCC2=C1[C@@H](C)c1cnn(-c3ccc(F)cc3)c1C2)NC(=O)Cc1ccccn1
• InChI: InChI=1S/C29H33FN4O/c1-3-6-24(33-28(35)17-23-7-4-5-14-31-23)15-20-8-9-21-16-27-26(19(2)29(20)21)18-32-34(27)25-12-10-22(30)11-13-25/h4-5,7,10-14,18-20,24H,3,6,8-9,15-17H2,1-2H3,(H,33,35)/t19-,20+,24?/m0/s1
• InChIKey: YKZUPFQOPNYWKY-ZPVKFHTISA-N
• XLogP: 5.69
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.61
LogP ≤ 5	5.69
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 N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]pentan-2-yl]-2-pyridin-2-ylacetamide?

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-pyridin-2-ylacetamide (CID 68760570) 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-pyridin-2-ylacetamide.

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-pyridin-2-ylacetamide?

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-pyridin-2-ylacetamide is CCCC(C[C@H]1CCC2=C1[C@@H](C)c1cnn(-c3ccc(F)cc3)c1C2)NC(=O)Cc1ccccn1.

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-pyridin-2-ylacetamide?

The InChIKey is YKZUPFQOPNYWKY-ZPVKFHTISA-N. The full InChI is InChI=1S/C29H33FN4O/c1-3-6-24(33-28(35)17-23-7-4-5-14-31-23)15-20-8-9-21-16-27-26(19(2)29(20)21)18-32-34(27)25-12-10-22(30)11-13-25/h4-5,7,10-14,18-20,24H,3,6,8-9,15-17H2,1-2H3,(H,33,35)/t19-,20+,24?/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-pyridin-2-ylacetamide?

N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]pentan-2-yl]-2-pyridin-2-ylacetamide has a molecular weight of 472.61 g/mol, XLogP of 5.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 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-pyridin-2-ylacetamide is sourced from PubChem (CID 68760570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).