4-(1-cyclopropyl-2-oxo-5-phenyl-4-pyridinyl)-2-(2,6-dimethyl-4-pyridinyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;hydrochloride

C29H27ClN4O2 — CID 171828139

About 4-(1-cyclopropyl-2-oxo-5-phenyl-4-pyridinyl)-2-(2,6-dimethyl-4-pyridinyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;hydrochloride

4-(1-cyclopropyl-2-oxo-5-phenyl-4-pyridinyl)-2-(2,6-dimethyl-4-pyridinyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;hydrochloride (PubChem CID 171828139) has the molecular formula C29H27ClN4O2 and a molecular weight of 499.01 g/mol. Its IUPAC name is 4-(1-cyclopropyl-2-oxo-5-phenyl-4-pyridinyl)-2-(2,6-dimethyl-4-pyridinyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;hydrochloride.

Molecular Properties

• Compound Name: 4-(1-cyclopropyl-2-oxo-5-phenyl-4-pyridinyl)-2-(2,6-dimethyl-4-pyridinyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;hydrochloride
• PubChem CID: 171828139
• Molecular Formula: C29H27ClN4O2
• Molecular Weight: 499.01 g/mol
• Exact Mass: 498.18
• IUPAC Name: 4-(1-cyclopropyl-2-oxo-5-phenyl-4-pyridinyl)-2-(2,6-dimethyl-4-pyridinyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;hydrochloride
• SMILES: Cc1cc(-c2cc3c(-c4cc(=O)n(C5CC5)cc4-c4ccccc4)cn(C)c(=O)c3[nH]2)cc(C)n1.Cl
• InChI: InChI=1S/C29H26N4O2.ClH/c1-17-11-20(12-18(2)30-17)26-13-23-25(15-32(3)29(35)28(23)31-26)22-14-27(34)33(21-9-10-21)16-24(22)19-7-5-4-6-8-19;/h4-8,11-16,21,31H,9-10H2,1-3H3;1H
• InChIKey: UPJNMGCEPWTWOW-UHFFFAOYSA-N
• XLogP: 5.80
• TPSA: 72.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.01
LogP ≤ 5	5.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropyl-2-oxo-5-phenyl-4-pyridinyl)-2-(2,6-dimethyl-4-pyridinyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;hydrochloride?

The IUPAC name of 4-(1-cyclopropyl-2-oxo-5-phenyl-4-pyridinyl)-2-(2,6-dimethyl-4-pyridinyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;hydrochloride (CID 171828139) is 4-(1-cyclopropyl-2-oxo-5-phenyl-4-pyridinyl)-2-(2,6-dimethyl-4-pyridinyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;hydrochloride.

What is the SMILES notation for 4-(1-cyclopropyl-2-oxo-5-phenyl-4-pyridinyl)-2-(2,6-dimethyl-4-pyridinyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;hydrochloride?

The canonical SMILES for 4-(1-cyclopropyl-2-oxo-5-phenyl-4-pyridinyl)-2-(2,6-dimethyl-4-pyridinyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;hydrochloride is Cc1cc(-c2cc3c(-c4cc(=O)n(C5CC5)cc4-c4ccccc4)cn(C)c(=O)c3[nH]2)cc(C)n1.Cl.

What is the InChIKey of 4-(1-cyclopropyl-2-oxo-5-phenyl-4-pyridinyl)-2-(2,6-dimethyl-4-pyridinyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;hydrochloride?

The InChIKey is UPJNMGCEPWTWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O2.ClH/c1-17-11-20(12-18(2)30-17)26-13-23-25(15-32(3)29(35)28(23)31-26)22-14-27(34)33(21-9-10-21)16-24(22)19-7-5-4-6-8-19;/h4-8,11-16,21,31H,9-10H2,1-3H3;1H.

What are the key properties of 4-(1-cyclopropyl-2-oxo-5-phenyl-4-pyridinyl)-2-(2,6-dimethyl-4-pyridinyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;hydrochloride?

4-(1-cyclopropyl-2-oxo-5-phenyl-4-pyridinyl)-2-(2,6-dimethyl-4-pyridinyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;hydrochloride has a molecular weight of 499.01 g/mol, XLogP of 5.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1-cyclopropyl-2-oxo-5-phenyl-4-pyridinyl)-2-(2,6-dimethyl-4-pyridinyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;hydrochloride is sourced from PubChem (CID 171828139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).