N-[2-[1-(4-fluorophenyl)-4a-methyl-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]-1-phenylethyl]pyridine-2-carboxamide

C31H29FN4O — CID 75288982

About N-[2-[1-(4-fluorophenyl)-4a-methyl-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]-1-phenylethyl]pyridine-2-carboxamide

N-[2-[1-(4-fluorophenyl)-4a-methyl-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]-1-phenylethyl]pyridine-2-carboxamide (PubChem CID 75288982) has the molecular formula C31H29FN4O and a molecular weight of 492.60 g/mol. Its IUPAC name is N-[2-[1-(4-fluorophenyl)-4a-methyl-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]-1-phenylethyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[1-(4-fluorophenyl)-4a-methyl-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]-1-phenylethyl]pyridine-2-carboxamide
• PubChem CID: 75288982
• Molecular Formula: C31H29FN4O
• Molecular Weight: 492.60 g/mol
• Exact Mass: 492.23
• IUPAC Name: N-[2-[1-(4-fluorophenyl)-4a-methyl-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]-1-phenylethyl]pyridine-2-carboxamide
• SMILES: CC12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC2CC(NC(=O)c1ccccn1)c1ccccc1
• InChI: InChI=1S/C31H29FN4O/c1-31-19-22-20-34-36(26-14-12-25(32)13-15-26)29(22)18-24(31)11-10-23(31)17-28(21-7-3-2-4-8-21)35-30(37)27-9-5-6-16-33-27/h2-9,12-16,18,20,23,28H,10-11,17,19H2,1H3,(H,35,37)
• InChIKey: RFBCGPUKGPAJBD-UHFFFAOYSA-N
• XLogP: 6.32
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.60
LogP ≤ 5	6.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4-fluorophenyl)-4a-methyl-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]-1-phenylethyl]pyridine-2-carboxamide?

The IUPAC name of N-[2-[1-(4-fluorophenyl)-4a-methyl-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]-1-phenylethyl]pyridine-2-carboxamide (CID 75288982) is N-[2-[1-(4-fluorophenyl)-4a-methyl-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]-1-phenylethyl]pyridine-2-carboxamide.

What is the SMILES notation for N-[2-[1-(4-fluorophenyl)-4a-methyl-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]-1-phenylethyl]pyridine-2-carboxamide?

The canonical SMILES for N-[2-[1-(4-fluorophenyl)-4a-methyl-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]-1-phenylethyl]pyridine-2-carboxamide is CC12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC2CC(NC(=O)c1ccccn1)c1ccccc1.

What is the InChIKey of N-[2-[1-(4-fluorophenyl)-4a-methyl-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]-1-phenylethyl]pyridine-2-carboxamide?

The InChIKey is RFBCGPUKGPAJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29FN4O/c1-31-19-22-20-34-36(26-14-12-25(32)13-15-26)29(22)18-24(31)11-10-23(31)17-28(21-7-3-2-4-8-21)35-30(37)27-9-5-6-16-33-27/h2-9,12-16,18,20,23,28H,10-11,17,19H2,1H3,(H,35,37).

What are the key properties of N-[2-[1-(4-fluorophenyl)-4a-methyl-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]-1-phenylethyl]pyridine-2-carboxamide?

N-[2-[1-(4-fluorophenyl)-4a-methyl-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]-1-phenylethyl]pyridine-2-carboxamide has a molecular weight of 492.60 g/mol, XLogP of 6.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[1-(4-fluorophenyl)-4a-methyl-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]-1-phenylethyl]pyridine-2-carboxamide is sourced from PubChem (CID 75288982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).