N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]pentan-2-yl]-6-oxo-1H-pyridine-3-carboxamide

C28H31FN4O2 — CID 68757060

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

N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]pentan-2-yl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 68757060) has the molecular formula C28H31FN4O2 and a molecular weight of 474.58 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]-6-oxo-1H-pyridine-3-carboxamide.

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]-6-oxo-1H-pyridine-3-carboxamide
• PubChem CID: 68757060
• Molecular Formula: C28H31FN4O2
• Molecular Weight: 474.58 g/mol
• Exact Mass: 474.24
• 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]-6-oxo-1H-pyridine-3-carboxamide
• SMILES: CCCC(C[C@H]1CCC2=C1[C@@H](C)C1=CNN(c3ccc(F)cc3)C1=C2)NC(=O)c1ccc(=O)[nH]c1
• InChI: InChI=1S/C28H31FN4O2/c1-3-4-22(32-28(35)20-7-12-26(34)30-15-20)13-18-5-6-19-14-25-24(17(2)27(18)19)16-31-33(25)23-10-8-21(29)9-11-23/h7-12,14-18,22,31H,3-6,13H2,1-2H3,(H,30,34)(H,32,35)/t17-,18+,22?/m0/s1
• InChIKey: CGVWMEAIDLRJOL-WQFBUZOZSA-N
• XLogP: 4.95
• TPSA: 77.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.58
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

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]-6-oxo-1H-pyridine-3-carboxamide?

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]-6-oxo-1H-pyridine-3-carboxamide (CID 68757060) is N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]pentan-2-yl]-6-oxo-1H-pyridine-3-carboxamide.

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]-6-oxo-1H-pyridine-3-carboxamide?

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]-6-oxo-1H-pyridine-3-carboxamide is CCCC(C[C@H]1CCC2=C1[C@@H](C)C1=CNN(c3ccc(F)cc3)C1=C2)NC(=O)c1ccc(=O)[nH]c1.

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]-6-oxo-1H-pyridine-3-carboxamide?

The InChIKey is CGVWMEAIDLRJOL-WQFBUZOZSA-N. The full InChI is InChI=1S/C28H31FN4O2/c1-3-4-22(32-28(35)20-7-12-26(34)30-15-20)13-18-5-6-19-14-25-24(17(2)27(18)19)16-31-33(25)23-10-8-21(29)9-11-23/h7-12,14-18,22,31H,3-6,13H2,1-2H3,(H,30,34)(H,32,35)/t17-,18+,22?/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]-6-oxo-1H-pyridine-3-carboxamide?

N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]pentan-2-yl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 474.58 g/mol, XLogP of 4.95, 7 rotatable bonds, 3 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-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]pentan-2-yl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 68757060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).