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

C34H34FN3O — CID 68793510

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

N-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-3-phenylpropanamide (PubChem CID 68793510) has the molecular formula C34H34FN3O and a molecular weight of 519.66 g/mol. Its IUPAC name is N-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-3-phenylpropanamide.

Molecular Properties

• Compound Name: N-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-3-phenylpropanamide
• PubChem CID: 68793510
• Molecular Formula: C34H34FN3O
• Molecular Weight: 519.66 g/mol
• Exact Mass: 519.27
• IUPAC Name: N-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-3-phenylpropanamide
• SMILES: C[C@H]1C2=CNN(c3ccc(F)cc3)C2=CC2=C1[C@@H](CC(NC(=O)CCc1ccccc1)c1ccccc1)CC2
• InChI: InChI=1S/C34H34FN3O/c1-23-30-22-36-38(29-17-15-28(35)16-18-29)32(30)21-27-14-13-26(34(23)27)20-31(25-10-6-3-7-11-25)37-33(39)19-12-24-8-4-2-5-9-24/h2-11,15-18,21-23,26,31,36H,12-14,19-20H2,1H3,(H,37,39)/t23-,26+,31?/m0/s1
• InChIKey: WTOIDQMJCFJEFY-OFBZFNJUSA-N
• XLogP: 7.15
• TPSA: 44.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	519.66
LogP ≤ 5	7.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-3-phenylpropanamide (CID 68793510) is N-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-3-phenylpropanamide.

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

The canonical SMILES for N-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-3-phenylpropanamide is C[C@H]1C2=CNN(c3ccc(F)cc3)C2=CC2=C1[C@@H](CC(NC(=O)CCc1ccccc1)c1ccccc1)CC2.

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

The InChIKey is WTOIDQMJCFJEFY-OFBZFNJUSA-N. The full InChI is InChI=1S/C34H34FN3O/c1-23-30-22-36-38(29-17-15-28(35)16-18-29)32(30)21-27-14-13-26(34(23)27)20-31(25-10-6-3-7-11-25)37-33(39)19-12-24-8-4-2-5-9-24/h2-11,15-18,21-23,26,31,36H,12-14,19-20H2,1H3,(H,37,39)/t23-,26+,31?/m0/s1.

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

N-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-3-phenylpropanamide has a molecular weight of 519.66 g/mol, XLogP of 7.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-3-phenylpropanamide is sourced from PubChem (CID 68793510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).