N-[(4-chlorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-7-amine

C23H21ClFN3 — CID 67141556

About N-[(4-chlorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-7-amine

N-[(4-chlorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-7-amine (PubChem CID 67141556) has the molecular formula C23H21ClFN3 and a molecular weight of 393.89 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-7-amine.

Molecular Properties

• Compound Name: N-[(4-chlorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-7-amine
• PubChem CID: 67141556
• Molecular Formula: C23H21ClFN3
• Molecular Weight: 393.89 g/mol
• Exact Mass: 393.14
• IUPAC Name: N-[(4-chlorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-7-amine
• SMILES: Cc1c(C)n(Cc2ccc(F)cc2)c2c(NCc3ccc(Cl)cc3)nccc12
• InChI: InChI=1S/C23H21ClFN3/c1-15-16(2)28(14-18-5-9-20(25)10-6-18)22-21(15)11-12-26-23(22)27-13-17-3-7-19(24)8-4-17/h3-12H,13-14H2,1-2H3,(H,26,27)
• InChIKey: SUKZNYMGPXNSIR-UHFFFAOYSA-N
• XLogP: 6.11
• TPSA: 29.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	393.89
LogP ≤ 5	6.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-7-amine?

The IUPAC name of N-[(4-chlorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-7-amine (CID 67141556) is N-[(4-chlorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-7-amine.

What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-7-amine?

The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-7-amine is Cc1c(C)n(Cc2ccc(F)cc2)c2c(NCc3ccc(Cl)cc3)nccc12.

What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-7-amine?

The InChIKey is SUKZNYMGPXNSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFN3/c1-15-16(2)28(14-18-5-9-20(25)10-6-18)22-21(15)11-12-26-23(22)27-13-17-3-7-19(24)8-4-17/h3-12H,13-14H2,1-2H3,(H,26,27).

What are the key properties of N-[(4-chlorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-7-amine?

N-[(4-chlorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-7-amine has a molecular weight of 393.89 g/mol, XLogP of 6.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-chlorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-7-amine is sourced from PubChem (CID 67141556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).