1-cyclopropyl-3-[[1-(3-methylbutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one

C22H25N5O — CID 118874449

About 1-cyclopropyl-3-[[1-(3-methylbutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one

1-cyclopropyl-3-[[1-(3-methylbutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one (PubChem CID 118874449) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 1-cyclopropyl-3-[[1-(3-methylbutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one.

Molecular Properties

• Compound Name: 1-cyclopropyl-3-[[1-(3-methylbutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
• PubChem CID: 118874449
• Molecular Formula: C22H25N5O
• Molecular Weight: 375.48 g/mol
• Exact Mass: 375.21
• IUPAC Name: 1-cyclopropyl-3-[[1-(3-methylbutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
• SMILES: CC(C)CCn1c(Cn2c(=O)n(C3CC3)c3ccncc32)cc2cnccc21
• InChI: InChI=1S/C22H25N5O/c1-15(2)7-10-25-18(11-16-12-23-8-5-19(16)25)14-26-21-13-24-9-6-20(21)27(22(26)28)17-3-4-17/h5-6,8-9,11-13,15,17H,3-4,7,10,14H2,1-2H3
• InChIKey: FIDFAZRWFAAYIC-UHFFFAOYSA-N
• XLogP: 3.98
• TPSA: 57.64 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.48
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[[1-(3-methylbutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?

The IUPAC name of 1-cyclopropyl-3-[[1-(3-methylbutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one (CID 118874449) is 1-cyclopropyl-3-[[1-(3-methylbutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one.

What is the SMILES notation for 1-cyclopropyl-3-[[1-(3-methylbutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?

The canonical SMILES for 1-cyclopropyl-3-[[1-(3-methylbutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one is CC(C)CCn1c(Cn2c(=O)n(C3CC3)c3ccncc32)cc2cnccc21.

What is the InChIKey of 1-cyclopropyl-3-[[1-(3-methylbutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?

The InChIKey is FIDFAZRWFAAYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-15(2)7-10-25-18(11-16-12-23-8-5-19(16)25)14-26-21-13-24-9-6-20(21)27(22(26)28)17-3-4-17/h5-6,8-9,11-13,15,17H,3-4,7,10,14H2,1-2H3.

What are the key properties of 1-cyclopropyl-3-[[1-(3-methylbutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?

1-cyclopropyl-3-[[1-(3-methylbutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one has a molecular weight of 375.48 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-3-[[1-(3-methylbutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 118874449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).