2-[2-[4a-ethyl-1-(4-fluorophenyl)-5-hydroxy-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]ethyl]pyridine-3-carboxamide

C26H27FN4O2 — CID 75964928

About 2-[2-[4a-ethyl-1-(4-fluorophenyl)-5-hydroxy-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]ethyl]pyridine-3-carboxamide

2-[2-[4a-ethyl-1-(4-fluorophenyl)-5-hydroxy-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]ethyl]pyridine-3-carboxamide (PubChem CID 75964928) has the molecular formula C26H27FN4O2 and a molecular weight of 446.53 g/mol. Its IUPAC name is 2-[2-[4a-ethyl-1-(4-fluorophenyl)-5-hydroxy-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]ethyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-[2-[4a-ethyl-1-(4-fluorophenyl)-5-hydroxy-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]ethyl]pyridine-3-carboxamide
• PubChem CID: 75964928
• Molecular Formula: C26H27FN4O2
• Molecular Weight: 446.53 g/mol
• Exact Mass: 446.21
• IUPAC Name: 2-[2-[4a-ethyl-1-(4-fluorophenyl)-5-hydroxy-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]ethyl]pyridine-3-carboxamide
• SMILES: CCC12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC2(O)CCc1ncccc1C(N)=O
• InChI: InChI=1S/C26H27FN4O2/c1-2-25-15-17-16-30-31(20-7-5-19(27)6-8-20)23(17)14-18(25)9-11-26(25,33)12-10-22-21(24(28)32)4-3-13-29-22/h3-8,13-14,16,33H,2,9-12,15H2,1H3,(H2,28,32)
• InChIKey: ATBVEHOTONOLCF-UHFFFAOYSA-N
• XLogP: 4.00
• TPSA: 94.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.53
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4a-ethyl-1-(4-fluorophenyl)-5-hydroxy-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]ethyl]pyridine-3-carboxamide?

The IUPAC name of 2-[2-[4a-ethyl-1-(4-fluorophenyl)-5-hydroxy-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]ethyl]pyridine-3-carboxamide (CID 75964928) is 2-[2-[4a-ethyl-1-(4-fluorophenyl)-5-hydroxy-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]ethyl]pyridine-3-carboxamide.

What is the SMILES notation for 2-[2-[4a-ethyl-1-(4-fluorophenyl)-5-hydroxy-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]ethyl]pyridine-3-carboxamide?

The canonical SMILES for 2-[2-[4a-ethyl-1-(4-fluorophenyl)-5-hydroxy-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]ethyl]pyridine-3-carboxamide is CCC12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC2(O)CCc1ncccc1C(N)=O.

What is the InChIKey of 2-[2-[4a-ethyl-1-(4-fluorophenyl)-5-hydroxy-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]ethyl]pyridine-3-carboxamide?

The InChIKey is ATBVEHOTONOLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O2/c1-2-25-15-17-16-30-31(20-7-5-19(27)6-8-20)23(17)14-18(25)9-11-26(25,33)12-10-22-21(24(28)32)4-3-13-29-22/h3-8,13-14,16,33H,2,9-12,15H2,1H3,(H2,28,32).

What are the key properties of 2-[2-[4a-ethyl-1-(4-fluorophenyl)-5-hydroxy-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]ethyl]pyridine-3-carboxamide?

2-[2-[4a-ethyl-1-(4-fluorophenyl)-5-hydroxy-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]ethyl]pyridine-3-carboxamide has a molecular weight of 446.53 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[4a-ethyl-1-(4-fluorophenyl)-5-hydroxy-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 75964928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).