N-(9-ethylcarbazol-3-yl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide

C31H27FN4O — CID 18833113

About N-(9-ethylcarbazol-3-yl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide

N-(9-ethylcarbazol-3-yl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide (PubChem CID 18833113) has the molecular formula C31H27FN4O and a molecular weight of 490.58 g/mol. Its IUPAC name is N-(9-ethylcarbazol-3-yl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide.

Molecular Properties

• Compound Name: N-(9-ethylcarbazol-3-yl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide
• PubChem CID: 18833113
• Molecular Formula: C31H27FN4O
• Molecular Weight: 490.58 g/mol
• Exact Mass: 490.22
• IUPAC Name: N-(9-ethylcarbazol-3-yl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide
• SMILES: CCn1c2ccccc2c2cc(NC(=O)CCCc3c(-c4ccccn4)[nH]c4ccc(F)cc34)ccc21
• InChI: InChI=1S/C31H27FN4O/c1-2-36-28-11-4-3-8-22(28)25-19-21(14-16-29(25)36)34-30(37)12-7-9-23-24-18-20(32)13-15-26(24)35-31(23)27-10-5-6-17-33-27/h3-6,8,10-11,13-19,35H,2,7,9,12H2,1H3,(H,34,37)
• InChIKey: YHGOAZQLLNRTHX-UHFFFAOYSA-N
• XLogP: 7.46
• TPSA: 62.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.58
LogP ≤ 5	7.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(9-ethylcarbazol-3-yl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide?

The IUPAC name of N-(9-ethylcarbazol-3-yl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide (CID 18833113) is N-(9-ethylcarbazol-3-yl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide.

What is the SMILES notation for N-(9-ethylcarbazol-3-yl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide?

The canonical SMILES for N-(9-ethylcarbazol-3-yl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide is CCn1c2ccccc2c2cc(NC(=O)CCCc3c(-c4ccccn4)[nH]c4ccc(F)cc34)ccc21.

What is the InChIKey of N-(9-ethylcarbazol-3-yl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide?

The InChIKey is YHGOAZQLLNRTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27FN4O/c1-2-36-28-11-4-3-8-22(28)25-19-21(14-16-29(25)36)34-30(37)12-7-9-23-24-18-20(32)13-15-26(24)35-31(23)27-10-5-6-17-33-27/h3-6,8,10-11,13-19,35H,2,7,9,12H2,1H3,(H,34,37).

What are the key properties of N-(9-ethylcarbazol-3-yl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide?

N-(9-ethylcarbazol-3-yl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide has a molecular weight of 490.58 g/mol, XLogP of 7.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9-ethylcarbazol-3-yl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide is sourced from PubChem (CID 18833113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).