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

C30H30FN5O — CID 68792598

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

N-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-1-methylimidazole-4-carboxamide (PubChem CID 68792598) has the molecular formula C30H30FN5O and a molecular weight of 495.60 g/mol. Its IUPAC name is N-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-1-methylimidazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-1-methylimidazole-4-carboxamide
• PubChem CID: 68792598
• Molecular Formula: C30H30FN5O
• Molecular Weight: 495.60 g/mol
• Exact Mass: 495.24
• IUPAC Name: N-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-1-methylimidazole-4-carboxamide
• SMILES: C[C@@H]1C2=C(CC[C@@H]2CC(NC(=O)c2cn(C)cn2)c2ccccc2)Cc2c1cnn2-c1ccc(F)cc1
• InChI: InChI=1S/C30H30FN5O/c1-19-25-16-33-36(24-12-10-23(31)11-13-24)28(25)15-22-9-8-21(29(19)22)14-26(20-6-4-3-5-7-20)34-30(37)27-17-35(2)18-32-27/h3-7,10-13,16-19,21,26H,8-9,14-15H2,1-2H3,(H,34,37)/t19-,21+,26?/m0/s1
• InChIKey: GENWNVVSYRXSBM-XDWHKTABSA-N
• XLogP: 5.67
• TPSA: 64.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.60
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-1-methylimidazole-4-carboxamide (CID 68792598) is N-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-1-methylimidazole-4-carboxamide.

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

The canonical SMILES for N-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-1-methylimidazole-4-carboxamide is C[C@@H]1C2=C(CC[C@@H]2CC(NC(=O)c2cn(C)cn2)c2ccccc2)Cc2c1cnn2-c1ccc(F)cc1.

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

The InChIKey is GENWNVVSYRXSBM-XDWHKTABSA-N. The full InChI is InChI=1S/C30H30FN5O/c1-19-25-16-33-36(24-12-10-23(31)11-13-24)28(25)15-22-9-8-21(29(19)22)14-26(20-6-4-3-5-7-20)34-30(37)27-17-35(2)18-32-27/h3-7,10-13,16-19,21,26H,8-9,14-15H2,1-2H3,(H,34,37)/t19-,21+,26?/m0/s1.

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

N-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-1-methylimidazole-4-carboxamide has a molecular weight of 495.60 g/mol, XLogP of 5.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 68792598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).