4-cyclopropyl-6-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-7-oxo-1H-pyrrolo[2,3-c]pyridine-3-carbonitrile

C25H24N6O — CID 174184669

About 4-cyclopropyl-6-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-7-oxo-1H-pyrrolo[2,3-c]pyridine-3-carbonitrile

4-cyclopropyl-6-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-7-oxo-1H-pyrrolo[2,3-c]pyridine-3-carbonitrile (PubChem CID 174184669) has the molecular formula C25H24N6O and a molecular weight of 424.51 g/mol. Its IUPAC name is 4-cyclopropyl-6-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-7-oxo-1H-pyrrolo[2,3-c]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-cyclopropyl-6-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-7-oxo-1H-pyrrolo[2,3-c]pyridine-3-carbonitrile
• PubChem CID: 174184669
• Molecular Formula: C25H24N6O
• Molecular Weight: 424.51 g/mol
• Exact Mass: 424.20
• IUPAC Name: 4-cyclopropyl-6-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-7-oxo-1H-pyrrolo[2,3-c]pyridine-3-carbonitrile
• SMILES: CC1CC(c2cccc(-n3cc(C4CC4)c4c(C#N)c[nH]c4c3=O)c2)(c2nncn2C)C1
• InChI: InChI=1S/C25H24N6O/c1-15-9-25(10-15,24-29-28-14-30(24)2)18-4-3-5-19(8-18)31-13-20(16-6-7-16)21-17(11-26)12-27-22(21)23(31)32/h3-5,8,12-16,27H,6-7,9-10H2,1-2H3
• InChIKey: WJZZGZMGXCQVCE-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 92.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.51
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-7-oxo-1H-pyrrolo[2,3-c]pyridine-3-carbonitrile?

The IUPAC name of 4-cyclopropyl-6-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-7-oxo-1H-pyrrolo[2,3-c]pyridine-3-carbonitrile (CID 174184669) is 4-cyclopropyl-6-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-7-oxo-1H-pyrrolo[2,3-c]pyridine-3-carbonitrile.

What is the SMILES notation for 4-cyclopropyl-6-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-7-oxo-1H-pyrrolo[2,3-c]pyridine-3-carbonitrile?

The canonical SMILES for 4-cyclopropyl-6-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-7-oxo-1H-pyrrolo[2,3-c]pyridine-3-carbonitrile is CC1CC(c2cccc(-n3cc(C4CC4)c4c(C#N)c[nH]c4c3=O)c2)(c2nncn2C)C1.

What is the InChIKey of 4-cyclopropyl-6-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-7-oxo-1H-pyrrolo[2,3-c]pyridine-3-carbonitrile?

The InChIKey is WJZZGZMGXCQVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O/c1-15-9-25(10-15,24-29-28-14-30(24)2)18-4-3-5-19(8-18)31-13-20(16-6-7-16)21-17(11-26)12-27-22(21)23(31)32/h3-5,8,12-16,27H,6-7,9-10H2,1-2H3.

What are the key properties of 4-cyclopropyl-6-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-7-oxo-1H-pyrrolo[2,3-c]pyridine-3-carbonitrile?

4-cyclopropyl-6-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-7-oxo-1H-pyrrolo[2,3-c]pyridine-3-carbonitrile has a molecular weight of 424.51 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyclopropyl-6-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-7-oxo-1H-pyrrolo[2,3-c]pyridine-3-carbonitrile is sourced from PubChem (CID 174184669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).