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

C26H34FN3O — CID 68757046

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

N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]pentan-2-yl]butanamide (PubChem CID 68757046) has the molecular formula C26H34FN3O and a molecular weight of 423.58 g/mol. Its IUPAC name is N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]pentan-2-yl]butanamide.

Molecular Properties

• Compound Name: N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]pentan-2-yl]butanamide
• PubChem CID: 68757046
• Molecular Formula: C26H34FN3O
• Molecular Weight: 423.58 g/mol
• Exact Mass: 423.27
• IUPAC Name: N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]pentan-2-yl]butanamide
• SMILES: CCCC(=O)NC(CCC)C[C@H]1CCC2=C1[C@@H](C)C1=CNN(c3ccc(F)cc3)C1=C2
• InChI: InChI=1S/C26H34FN3O/c1-4-6-21(29-25(31)7-5-2)14-18-8-9-19-15-24-23(17(3)26(18)19)16-28-30(24)22-12-10-20(27)11-13-22/h10-13,15-18,21,28H,4-9,14H2,1-3H3,(H,29,31)/t17-,18+,21?/m0/s1
• InChIKey: FYYGERTZDDMHGS-GARIHTGFSA-N
• XLogP: 5.75
• TPSA: 44.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	423.58
LogP ≤ 5	5.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]pentan-2-yl]butanamide (CID 68757046) is N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]pentan-2-yl]butanamide.

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

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

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

The InChIKey is FYYGERTZDDMHGS-GARIHTGFSA-N. The full InChI is InChI=1S/C26H34FN3O/c1-4-6-21(29-25(31)7-5-2)14-18-8-9-19-15-24-23(17(3)26(18)19)16-28-30(24)22-12-10-20(27)11-13-22/h10-13,15-18,21,28H,4-9,14H2,1-3H3,(H,29,31)/t17-,18+,21?/m0/s1.

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

N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]pentan-2-yl]butanamide has a molecular weight of 423.58 g/mol, XLogP of 5.75, 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-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]pentan-2-yl]butanamide is sourced from PubChem (CID 68757046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).