N-[2-chloro-4-(2,3-dimethylimidazol-4-yl)phenyl]-1-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-amine

C25H26ClN7O — CID 66546350

About N-[2-chloro-4-(2,3-dimethylimidazol-4-yl)phenyl]-1-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-amine

N-[2-chloro-4-(2,3-dimethylimidazol-4-yl)phenyl]-1-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-amine (PubChem CID 66546350) has the molecular formula C25H26ClN7O and a molecular weight of 475.98 g/mol. Its IUPAC name is N-[2-chloro-4-(2,3-dimethylimidazol-4-yl)phenyl]-1-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-amine.

Molecular Properties

• Compound Name: N-[2-chloro-4-(2,3-dimethylimidazol-4-yl)phenyl]-1-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-amine
• PubChem CID: 66546350
• Molecular Formula: C25H26ClN7O
• Molecular Weight: 475.98 g/mol
• Exact Mass: 475.19
• IUPAC Name: N-[2-chloro-4-(2,3-dimethylimidazol-4-yl)phenyl]-1-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-amine
• SMILES: COCCn1c(-c2cnn(C)c2)cc2cnc(Nc3ccc(-c4cnc(C)n4C)cc3Cl)cc21
• InChI: InChI=1S/C25H26ClN7O/c1-16-27-14-24(32(16)3)17-5-6-21(20(26)9-17)30-25-11-23-18(12-28-25)10-22(33(23)7-8-34-4)19-13-29-31(2)15-19/h5-6,9-15H,7-8H2,1-4H3,(H,28,30)
• InChIKey: UODGMZOXGXCGRQ-UHFFFAOYSA-N
• XLogP: 5.19
• TPSA: 74.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.98
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(2,3-dimethylimidazol-4-yl)phenyl]-1-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-amine?

The IUPAC name of N-[2-chloro-4-(2,3-dimethylimidazol-4-yl)phenyl]-1-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-amine (CID 66546350) is N-[2-chloro-4-(2,3-dimethylimidazol-4-yl)phenyl]-1-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-amine.

What is the SMILES notation for N-[2-chloro-4-(2,3-dimethylimidazol-4-yl)phenyl]-1-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-amine?

The canonical SMILES for N-[2-chloro-4-(2,3-dimethylimidazol-4-yl)phenyl]-1-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-amine is COCCn1c(-c2cnn(C)c2)cc2cnc(Nc3ccc(-c4cnc(C)n4C)cc3Cl)cc21.

What is the InChIKey of N-[2-chloro-4-(2,3-dimethylimidazol-4-yl)phenyl]-1-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-amine?

The InChIKey is UODGMZOXGXCGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN7O/c1-16-27-14-24(32(16)3)17-5-6-21(20(26)9-17)30-25-11-23-18(12-28-25)10-22(33(23)7-8-34-4)19-13-29-31(2)15-19/h5-6,9-15H,7-8H2,1-4H3,(H,28,30).

What are the key properties of N-[2-chloro-4-(2,3-dimethylimidazol-4-yl)phenyl]-1-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-amine?

N-[2-chloro-4-(2,3-dimethylimidazol-4-yl)phenyl]-1-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-amine has a molecular weight of 475.98 g/mol, XLogP of 5.19, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-chloro-4-(2,3-dimethylimidazol-4-yl)phenyl]-1-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-amine is sourced from PubChem (CID 66546350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).