4-[4,6-dichloro-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-2-yl]-3-phenylmorpholine

C24H28Cl2N4O — CID 123411495

About 4-[4,6-dichloro-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-2-yl]-3-phenylmorpholine

4-[4,6-dichloro-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-2-yl]-3-phenylmorpholine (PubChem CID 123411495) has the molecular formula C24H28Cl2N4O and a molecular weight of 459.42 g/mol. Its IUPAC name is 4-[4,6-dichloro-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-2-yl]-3-phenylmorpholine.

Molecular Properties

• Compound Name: 4-[4,6-dichloro-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-2-yl]-3-phenylmorpholine
• PubChem CID: 123411495
• Molecular Formula: C24H28Cl2N4O
• Molecular Weight: 459.42 g/mol
• Exact Mass: 458.16
• IUPAC Name: 4-[4,6-dichloro-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-2-yl]-3-phenylmorpholine
• SMILES: CC1CCC(Cn2c(N3CCOCC3c3ccccc3)nc3cc(Cl)nc(Cl)c32)CC1
• InChI: InChI=1S/C24H28Cl2N4O/c1-16-7-9-17(10-8-16)14-30-22-19(13-21(25)28-23(22)26)27-24(30)29-11-12-31-15-20(29)18-5-3-2-4-6-18/h2-6,13,16-17,20H,7-12,14-15H2,1H3
• InChIKey: YVFYEUVXEWRKBF-UHFFFAOYSA-N
• XLogP: 6.14
• TPSA: 43.18 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	459.42
LogP ≤ 5	6.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4,6-dichloro-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-2-yl]-3-phenylmorpholine?

The IUPAC name of 4-[4,6-dichloro-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-2-yl]-3-phenylmorpholine (CID 123411495) is 4-[4,6-dichloro-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-2-yl]-3-phenylmorpholine.

What is the SMILES notation for 4-[4,6-dichloro-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-2-yl]-3-phenylmorpholine?

The canonical SMILES for 4-[4,6-dichloro-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-2-yl]-3-phenylmorpholine is CC1CCC(Cn2c(N3CCOCC3c3ccccc3)nc3cc(Cl)nc(Cl)c32)CC1.

What is the InChIKey of 4-[4,6-dichloro-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-2-yl]-3-phenylmorpholine?

The InChIKey is YVFYEUVXEWRKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28Cl2N4O/c1-16-7-9-17(10-8-16)14-30-22-19(13-21(25)28-23(22)26)27-24(30)29-11-12-31-15-20(29)18-5-3-2-4-6-18/h2-6,13,16-17,20H,7-12,14-15H2,1H3.

What are the key properties of 4-[4,6-dichloro-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-2-yl]-3-phenylmorpholine?

4-[4,6-dichloro-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-2-yl]-3-phenylmorpholine has a molecular weight of 459.42 g/mol, XLogP of 6.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4,6-dichloro-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-2-yl]-3-phenylmorpholine is sourced from PubChem (CID 123411495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).