3-[[5-chloro-1-(4-hydroxy-4-methylpentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one

C22H25ClN6O2 — CID 86698154

About 3-[[5-chloro-1-(4-hydroxy-4-methylpentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one

3-[[5-chloro-1-(4-hydroxy-4-methylpentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one (PubChem CID 86698154) has the molecular formula C22H25ClN6O2 and a molecular weight of 440.94 g/mol. Its IUPAC name is 3-[[5-chloro-1-(4-hydroxy-4-methylpentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one.

Molecular Properties

• Compound Name: 3-[[5-chloro-1-(4-hydroxy-4-methylpentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
• PubChem CID: 86698154
• Molecular Formula: C22H25ClN6O2
• Molecular Weight: 440.94 g/mol
• Exact Mass: 440.17
• IUPAC Name: 3-[[5-chloro-1-(4-hydroxy-4-methylpentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
• SMILES: CC(C)(O)CCCn1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2nc(Cl)ccc21
• InChI: InChI=1S/C22H25ClN6O2/c1-22(2,31)9-3-11-27-16-6-7-18(23)25-20(16)26-19(27)13-28-17-12-24-10-8-15(17)29(21(28)30)14-4-5-14/h6-8,10,12,14,31H,3-5,9,11,13H2,1-2H3
• InChIKey: HNHDORFUMZBBGZ-UHFFFAOYSA-N
• XLogP: 3.53
• TPSA: 90.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.94
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[[5-chloro-1-(4-hydroxy-4-methylpentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one?

The IUPAC name of 3-[[5-chloro-1-(4-hydroxy-4-methylpentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one (CID 86698154) is 3-[[5-chloro-1-(4-hydroxy-4-methylpentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one.

What is the SMILES notation for 3-[[5-chloro-1-(4-hydroxy-4-methylpentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one?

The canonical SMILES for 3-[[5-chloro-1-(4-hydroxy-4-methylpentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one is CC(C)(O)CCCn1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2nc(Cl)ccc21.

What is the InChIKey of 3-[[5-chloro-1-(4-hydroxy-4-methylpentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one?

The InChIKey is HNHDORFUMZBBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN6O2/c1-22(2,31)9-3-11-27-16-6-7-18(23)25-20(16)26-19(27)13-28-17-12-24-10-8-15(17)29(21(28)30)14-4-5-14/h6-8,10,12,14,31H,3-5,9,11,13H2,1-2H3.

What are the key properties of 3-[[5-chloro-1-(4-hydroxy-4-methylpentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one?

3-[[5-chloro-1-(4-hydroxy-4-methylpentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one has a molecular weight of 440.94 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[5-chloro-1-(4-hydroxy-4-methylpentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 86698154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).