6-chloro-N-[(2R)-1-chlorohexan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

C22H23Cl2F2N3O2 — CID 121301912

About 6-chloro-N-[(2R)-1-chlorohexan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

6-chloro-N-[(2R)-1-chlorohexan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 121301912) has the molecular formula C22H23Cl2F2N3O2 and a molecular weight of 470.35 g/mol. Its IUPAC name is 6-chloro-N-[(2R)-1-chlorohexan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-chloro-N-[(2R)-1-chlorohexan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 121301912
• Molecular Formula: C22H23Cl2F2N3O2
• Molecular Weight: 470.35 g/mol
• Exact Mass: 469.11
• IUPAC Name: 6-chloro-N-[(2R)-1-chlorohexan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
• SMILES: CCCC[C@H](CCl)NC(=O)c1c(C)nc2c(OCc3c(F)cccc3F)cc(Cl)cn12
• InChI: InChI=1S/C22H23Cl2F2N3O2/c1-3-4-6-15(10-23)28-22(30)20-13(2)27-21-19(9-14(24)11-29(20)21)31-12-16-17(25)7-5-8-18(16)26/h5,7-9,11,15H,3-4,6,10,12H2,1-2H3,(H,28,30)/t15-/m1/s1
• InChIKey: OIRCICOWUNITJH-OAHLLOKOSA-N
• XLogP: 5.68
• TPSA: 55.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.35
LogP ≤ 5	5.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2R)-1-chlorohexan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of 6-chloro-N-[(2R)-1-chlorohexan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 121301912) is 6-chloro-N-[(2R)-1-chlorohexan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for 6-chloro-N-[(2R)-1-chlorohexan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for 6-chloro-N-[(2R)-1-chlorohexan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is CCCC[C@H](CCl)NC(=O)c1c(C)nc2c(OCc3c(F)cccc3F)cc(Cl)cn12.

What is the InChIKey of 6-chloro-N-[(2R)-1-chlorohexan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is OIRCICOWUNITJH-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H23Cl2F2N3O2/c1-3-4-6-15(10-23)28-22(30)20-13(2)27-21-19(9-14(24)11-29(20)21)31-12-16-17(25)7-5-8-18(16)26/h5,7-9,11,15H,3-4,6,10,12H2,1-2H3,(H,28,30)/t15-/m1/s1.

What are the key properties of 6-chloro-N-[(2R)-1-chlorohexan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?

6-chloro-N-[(2R)-1-chlorohexan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 470.35 g/mol, XLogP of 5.68, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-N-[(2R)-1-chlorohexan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 121301912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).