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

C30H40FN3O — CID 68758237

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

2-cyclohexyl-N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]pentan-2-yl]acetamide (PubChem CID 68758237) has the molecular formula C30H40FN3O and a molecular weight of 477.67 g/mol. Its IUPAC name is 2-cyclohexyl-N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]pentan-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-cyclohexyl-N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]pentan-2-yl]acetamide
• PubChem CID: 68758237
• Molecular Formula: C30H40FN3O
• Molecular Weight: 477.67 g/mol
• Exact Mass: 477.32
• IUPAC Name: 2-cyclohexyl-N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]pentan-2-yl]acetamide
• SMILES: CCCC(C[C@H]1CCC2=C1[C@@H](C)C1=CNN(c3ccc(F)cc3)C1=C2)NC(=O)CC1CCCCC1
• InChI: InChI=1S/C30H40FN3O/c1-3-7-25(33-29(35)16-21-8-5-4-6-9-21)17-22-10-11-23-18-28-27(20(2)30(22)23)19-32-34(28)26-14-12-24(31)13-15-26/h12-15,18-22,25,32H,3-11,16-17H2,1-2H3,(H,33,35)/t20-,22+,25?/m0/s1
• InChIKey: MGVLLJSJNJIHOO-IZEQZHGBSA-N
• XLogP: 6.92
• TPSA: 44.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.67
LogP ≤ 5	6.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 2-cyclohexyl-N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]pentan-2-yl]acetamide (CID 68758237) is 2-cyclohexyl-N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]pentan-2-yl]acetamide.

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

The canonical SMILES for 2-cyclohexyl-N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]pentan-2-yl]acetamide is CCCC(C[C@H]1CCC2=C1[C@@H](C)C1=CNN(c3ccc(F)cc3)C1=C2)NC(=O)CC1CCCCC1.

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

The InChIKey is MGVLLJSJNJIHOO-IZEQZHGBSA-N. The full InChI is InChI=1S/C30H40FN3O/c1-3-7-25(33-29(35)16-21-8-5-4-6-9-21)17-22-10-11-23-18-28-27(20(2)30(22)23)19-32-34(28)26-14-12-24(31)13-15-26/h12-15,18-22,25,32H,3-11,16-17H2,1-2H3,(H,33,35)/t20-,22+,25?/m0/s1.

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

2-cyclohexyl-N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]pentan-2-yl]acetamide has a molecular weight of 477.67 g/mol, XLogP of 6.92, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclohexyl-N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]pentan-2-yl]acetamide is sourced from PubChem (CID 68758237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).