5-fluoro-1-[(3-methylphenyl)methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)indole-2-carboxamide

C24H19FN4O — CID 66846526

About 5-fluoro-1-[(3-methylphenyl)methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)indole-2-carboxamide

5-fluoro-1-[(3-methylphenyl)methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)indole-2-carboxamide (PubChem CID 66846526) has the molecular formula C24H19FN4O and a molecular weight of 398.44 g/mol. Its IUPAC name is 5-fluoro-1-[(3-methylphenyl)methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)indole-2-carboxamide.

Molecular Properties

• Compound Name: 5-fluoro-1-[(3-methylphenyl)methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)indole-2-carboxamide
• PubChem CID: 66846526
• Molecular Formula: C24H19FN4O
• Molecular Weight: 398.44 g/mol
• Exact Mass: 398.15
• IUPAC Name: 5-fluoro-1-[(3-methylphenyl)methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)indole-2-carboxamide
• SMILES: Cc1cccc(Cn2c(C(=O)Nc3cnc4[nH]ccc4c3)cc3cc(F)ccc32)c1
• InChI: InChI=1S/C24H19FN4O/c1-15-3-2-4-16(9-15)14-29-21-6-5-19(25)10-18(21)12-22(29)24(30)28-20-11-17-7-8-26-23(17)27-13-20/h2-13H,14H2,1H3,(H,26,27)(H,28,30)
• InChIKey: PDDQGJKJFRDWDO-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 62.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	398.44
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(3-methylphenyl)methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)indole-2-carboxamide?

The IUPAC name of 5-fluoro-1-[(3-methylphenyl)methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)indole-2-carboxamide (CID 66846526) is 5-fluoro-1-[(3-methylphenyl)methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)indole-2-carboxamide.

What is the SMILES notation for 5-fluoro-1-[(3-methylphenyl)methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)indole-2-carboxamide?

The canonical SMILES for 5-fluoro-1-[(3-methylphenyl)methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)indole-2-carboxamide is Cc1cccc(Cn2c(C(=O)Nc3cnc4[nH]ccc4c3)cc3cc(F)ccc32)c1.

What is the InChIKey of 5-fluoro-1-[(3-methylphenyl)methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)indole-2-carboxamide?

The InChIKey is PDDQGJKJFRDWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O/c1-15-3-2-4-16(9-15)14-29-21-6-5-19(25)10-18(21)12-22(29)24(30)28-20-11-17-7-8-26-23(17)27-13-20/h2-13H,14H2,1H3,(H,26,27)(H,28,30).

What are the key properties of 5-fluoro-1-[(3-methylphenyl)methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)indole-2-carboxamide?

5-fluoro-1-[(3-methylphenyl)methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)indole-2-carboxamide has a molecular weight of 398.44 g/mol, XLogP of 5.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-1-[(3-methylphenyl)methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)indole-2-carboxamide is sourced from PubChem (CID 66846526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).