[1-[2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]cyclohexyl]carbamic acid

C25H27ClF2N4O4 — CID 90114029

About [1-[2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]cyclohexyl]carbamic acid

[1-[2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]cyclohexyl]carbamic acid (PubChem CID 90114029) has the molecular formula C25H27ClF2N4O4 and a molecular weight of 520.96 g/mol. Its IUPAC name is [1-[2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]cyclohexyl]carbamic acid.

Molecular Properties

• Compound Name: [1-[2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]cyclohexyl]carbamic acid
• PubChem CID: 90114029
• Molecular Formula: C25H27ClF2N4O4
• Molecular Weight: 520.96 g/mol
• Exact Mass: 520.17
• IUPAC Name: [1-[2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]cyclohexyl]carbamic acid
• SMILES: Cc1nc2c(OCc3c(F)cccc3F)cc(Cl)cn2c1C(=O)NCCC1(NC(=O)O)CCCCC1
• InChI: InChI=1S/C25H27ClF2N4O4/c1-15-21(23(33)29-11-10-25(31-24(34)35)8-3-2-4-9-25)32-13-16(26)12-20(22(32)30-15)36-14-17-18(27)6-5-7-19(17)28/h5-7,12-13,31H,2-4,8-11,14H2,1H3,(H,29,33)(H,34,35)
• InChIKey: DCGYZJVLUXJGOX-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 104.96 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.96
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [1-[2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]cyclohexyl]carbamic acid?

The IUPAC name of [1-[2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]cyclohexyl]carbamic acid (CID 90114029) is [1-[2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]cyclohexyl]carbamic acid.

What is the SMILES notation for [1-[2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]cyclohexyl]carbamic acid?

The canonical SMILES for [1-[2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]cyclohexyl]carbamic acid is Cc1nc2c(OCc3c(F)cccc3F)cc(Cl)cn2c1C(=O)NCCC1(NC(=O)O)CCCCC1.

What is the InChIKey of [1-[2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]cyclohexyl]carbamic acid?

The InChIKey is DCGYZJVLUXJGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClF2N4O4/c1-15-21(23(33)29-11-10-25(31-24(34)35)8-3-2-4-9-25)32-13-16(26)12-20(22(32)30-15)36-14-17-18(27)6-5-7-19(17)28/h5-7,12-13,31H,2-4,8-11,14H2,1H3,(H,29,33)(H,34,35).

What are the key properties of [1-[2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]cyclohexyl]carbamic acid?

[1-[2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]cyclohexyl]carbamic acid has a molecular weight of 520.96 g/mol, XLogP of 5.24, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]cyclohexyl]carbamic acid is sourced from PubChem (CID 90114029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).