6-chloroimidazo[1,5-a]pyridine-5-carbaldehyde;cyclohexyl-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)methanol;6-cyclopropylimidazo[1,5-a]pyridine-5-carbaldehyde;methane

C37H41ClN6O3 — CID 160572091

About 6-chloroimidazo[1,5-a]pyridine-5-carbaldehyde;cyclohexyl-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)methanol;6-cyclopropylimidazo[1,5-a]pyridine-5-carbaldehyde;methane

6-chloroimidazo[1,5-a]pyridine-5-carbaldehyde;cyclohexyl-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)methanol;6-cyclopropylimidazo[1,5-a]pyridine-5-carbaldehyde;methane (PubChem CID 160572091) has the molecular formula C37H41ClN6O3 and a molecular weight of 653.23 g/mol. Its IUPAC name is 6-chloroimidazo[1,5-a]pyridine-5-carbaldehyde;cyclohexyl-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)methanol;6-cyclopropylimidazo[1,5-a]pyridine-5-carbaldehyde;methane.

Molecular Properties

• Compound Name: 6-chloroimidazo[1,5-a]pyridine-5-carbaldehyde;cyclohexyl-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)methanol;6-cyclopropylimidazo[1,5-a]pyridine-5-carbaldehyde;methane
• PubChem CID: 160572091
• Molecular Formula: C37H41ClN6O3
• Molecular Weight: 653.23 g/mol
• Exact Mass: 652.29
• IUPAC Name: 6-chloroimidazo[1,5-a]pyridine-5-carbaldehyde;cyclohexyl-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)methanol;6-cyclopropylimidazo[1,5-a]pyridine-5-carbaldehyde;methane
• SMILES: C.O=Cc1c(C2CC2)ccc2cncn12.O=Cc1c(Cl)ccc2cncn12.OC(c1c(C2CC2)ccc2cncn12)C1CCCCC1
• InChI: InChI=1S/C17H22N2O.C11H10N2O.C8H5ClN2O.CH4/c20-17(13-4-2-1-3-5-13)16-15(12-6-7-12)9-8-14-10-18-11-19(14)16;14-6-11-10(8-1-2-8)4-3-9-5-12-7-13(9)11;9-7-2-1-6-3-10-5-11(6)8(7)4-12;/h8-13,17,20H,1-7H2;3-8H,1-2H2;1-5H;1H4
• InChIKey: RARHQZVFXORJAC-UHFFFAOYSA-N
• XLogP: 8.29
• TPSA: 106.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	653.23
LogP ≤ 5	8.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloroimidazo[1,5-a]pyridine-5-carbaldehyde;cyclohexyl-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)methanol;6-cyclopropylimidazo[1,5-a]pyridine-5-carbaldehyde;methane?

The IUPAC name of 6-chloroimidazo[1,5-a]pyridine-5-carbaldehyde;cyclohexyl-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)methanol;6-cyclopropylimidazo[1,5-a]pyridine-5-carbaldehyde;methane (CID 160572091) is 6-chloroimidazo[1,5-a]pyridine-5-carbaldehyde;cyclohexyl-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)methanol;6-cyclopropylimidazo[1,5-a]pyridine-5-carbaldehyde;methane.

What is the SMILES notation for 6-chloroimidazo[1,5-a]pyridine-5-carbaldehyde;cyclohexyl-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)methanol;6-cyclopropylimidazo[1,5-a]pyridine-5-carbaldehyde;methane?

The canonical SMILES for 6-chloroimidazo[1,5-a]pyridine-5-carbaldehyde;cyclohexyl-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)methanol;6-cyclopropylimidazo[1,5-a]pyridine-5-carbaldehyde;methane is C.O=Cc1c(C2CC2)ccc2cncn12.O=Cc1c(Cl)ccc2cncn12.OC(c1c(C2CC2)ccc2cncn12)C1CCCCC1.

What is the InChIKey of 6-chloroimidazo[1,5-a]pyridine-5-carbaldehyde;cyclohexyl-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)methanol;6-cyclopropylimidazo[1,5-a]pyridine-5-carbaldehyde;methane?

The InChIKey is RARHQZVFXORJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O.C11H10N2O.C8H5ClN2O.CH4/c20-17(13-4-2-1-3-5-13)16-15(12-6-7-12)9-8-14-10-18-11-19(14)16;14-6-11-10(8-1-2-8)4-3-9-5-12-7-13(9)11;9-7-2-1-6-3-10-5-11(6)8(7)4-12;/h8-13,17,20H,1-7H2;3-8H,1-2H2;1-5H;1H4.

What are the key properties of 6-chloroimidazo[1,5-a]pyridine-5-carbaldehyde;cyclohexyl-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)methanol;6-cyclopropylimidazo[1,5-a]pyridine-5-carbaldehyde;methane?

6-chloroimidazo[1,5-a]pyridine-5-carbaldehyde;cyclohexyl-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)methanol;6-cyclopropylimidazo[1,5-a]pyridine-5-carbaldehyde;methane has a molecular weight of 653.23 g/mol, XLogP of 8.29, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloroimidazo[1,5-a]pyridine-5-carbaldehyde;cyclohexyl-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)methanol;6-cyclopropylimidazo[1,5-a]pyridine-5-carbaldehyde;methane is sourced from PubChem (CID 160572091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).