[1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylbutan-2-yl]carbamic acid

C23H26F2N4O4 — CID 90114214

IUPAC[1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylbutan-2-yl]carbamic acid
SMILESCCC(C)(CNC(=O)c1c(C)nc2c(OCc3c(F)cccc3F)cc(C)cn12)NC(=O)O
InChIInChI=1S/C23H26F2N4O4/c1-5-23(4,28-22(31)32)12-26-21(30)19-14(3)27-20-18(9-13(2)10-29(19)20)33-11-15-16(24)7-6-8-17(15)25/h6-10,28H,5,11-12H2,1-4H3,(H,26,30)(H,31,32)
InChIKeyMIZIUUKKOJIWBO-UHFFFAOYSA-N
MW460.48 g/mol
LogP3.97
Rot. Bonds8

About [1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylbutan-2-yl]carbamic acid

[1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylbutan-2-yl]carbamic acid (PubChem CID 90114214) has the molecular formula C23H26F2N4O4 and a molecular weight of 460.48 g/mol. Its IUPAC name is [1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylbutan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylbutan-2-yl]carbamic acid
PubChem CID90114214
Molecular FormulaC23H26F2N4O4
Molecular Weight460.48 g/mol
Exact Mass460.19
IUPAC Name[1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylbutan-2-yl]carbamic acid
SMILESCCC(C)(CNC(=O)c1c(C)nc2c(OCc3c(F)cccc3F)cc(C)cn12)NC(=O)O
InChIInChI=1S/C23H26F2N4O4/c1-5-23(4,28-22(31)32)12-26-21(30)19-14(3)27-20-18(9-13(2)10-29(19)20)33-11-15-16(24)7-6-8-17(15)25/h6-10,28H,5,11-12H2,1-4H3,(H,26,30)(H,31,32)
InChIKeyMIZIUUKKOJIWBO-UHFFFAOYSA-N
XLogP3.97
TPSA104.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.48
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylbutan-2-yl]carbamic acid?
The IUPAC name of [1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylbutan-2-yl]carbamic acid (CID 90114214) is [1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylbutan-2-yl]carbamic acid.
What is the SMILES notation for [1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylbutan-2-yl]carbamic acid?
The canonical SMILES for [1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylbutan-2-yl]carbamic acid is CCC(C)(CNC(=O)c1c(C)nc2c(OCc3c(F)cccc3F)cc(C)cn12)NC(=O)O.
What is the InChIKey of [1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylbutan-2-yl]carbamic acid?
The InChIKey is MIZIUUKKOJIWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N4O4/c1-5-23(4,28-22(31)32)12-26-21(30)19-14(3)27-20-18(9-13(2)10-29(19)20)33-11-15-16(24)7-6-8-17(15)25/h6-10,28H,5,11-12H2,1-4H3,(H,26,30)(H,31,32).
What are the key properties of [1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylbutan-2-yl]carbamic acid?
[1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylbutan-2-yl]carbamic acid has a molecular weight of 460.48 g/mol, XLogP of 3.97, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylbutan-2-yl]carbamic acid is sourced from PubChem (CID 90114214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).