7-(dibenzylamino)-2-[2-fluoro-4-(1,4,5-trimethylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

C35H33FN6O — CID 146634521

About 7-(dibenzylamino)-2-[2-fluoro-4-(1,4,5-trimethylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

7-(dibenzylamino)-2-[2-fluoro-4-(1,4,5-trimethylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (PubChem CID 146634521) has the molecular formula C35H33FN6O and a molecular weight of 572.69 g/mol. Its IUPAC name is 7-(dibenzylamino)-2-[2-fluoro-4-(1,4,5-trimethylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 7-(dibenzylamino)-2-[2-fluoro-4-(1,4,5-trimethylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
• PubChem CID: 146634521
• Molecular Formula: C35H33FN6O
• Molecular Weight: 572.69 g/mol
• Exact Mass: 572.27
• IUPAC Name: 7-(dibenzylamino)-2-[2-fluoro-4-(1,4,5-trimethylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
• SMILES: CNC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(-c3ccc(-c4nc(C)c(C)n4C)cc3F)cc12
• InChI: InChI=1S/C35H33FN6O/c1-22-23(2)41(4)33(39-22)26-15-16-27(30(36)17-26)31-18-28-29(35(43)37-3)19-38-34(32(28)40-31)42(20-24-11-7-5-8-12-24)21-25-13-9-6-10-14-25/h5-19,40H,20-21H2,1-4H3,(H,37,43)
• InChIKey: VWXLLZKVXIFHBU-UHFFFAOYSA-N
• XLogP: 6.95
• TPSA: 78.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	572.69
LogP ≤ 5	6.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-(dibenzylamino)-2-[2-fluoro-4-(1,4,5-trimethylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?

The IUPAC name of 7-(dibenzylamino)-2-[2-fluoro-4-(1,4,5-trimethylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (CID 146634521) is 7-(dibenzylamino)-2-[2-fluoro-4-(1,4,5-trimethylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.

What is the SMILES notation for 7-(dibenzylamino)-2-[2-fluoro-4-(1,4,5-trimethylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?

The canonical SMILES for 7-(dibenzylamino)-2-[2-fluoro-4-(1,4,5-trimethylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is CNC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(-c3ccc(-c4nc(C)c(C)n4C)cc3F)cc12.

What is the InChIKey of 7-(dibenzylamino)-2-[2-fluoro-4-(1,4,5-trimethylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?

The InChIKey is VWXLLZKVXIFHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33FN6O/c1-22-23(2)41(4)33(39-22)26-15-16-27(30(36)17-26)31-18-28-29(35(43)37-3)19-38-34(32(28)40-31)42(20-24-11-7-5-8-12-24)21-25-13-9-6-10-14-25/h5-19,40H,20-21H2,1-4H3,(H,37,43).

What are the key properties of 7-(dibenzylamino)-2-[2-fluoro-4-(1,4,5-trimethylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?

7-(dibenzylamino)-2-[2-fluoro-4-(1,4,5-trimethylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide has a molecular weight of 572.69 g/mol, XLogP of 6.95, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(dibenzylamino)-2-[2-fluoro-4-(1,4,5-trimethylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 146634521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).