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

C23H25F3N4O4 — CID 118389660

IUPAC[1-[[8-[(2,6-difluorophenyl)methoxy]-6-(fluoromethyl)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylbutan-2-yl]carbamic acid
SMILESCCC(C)(CNC(=O)c1c(C)nc2c(OCc3c(F)cccc3F)cc(CF)cn12)NC(=O)O
InChIInChI=1S/C23H25F3N4O4/c1-4-23(3,29-22(32)33)12-27-21(31)19-13(2)28-20-18(8-14(9-24)10-30(19)20)34-11-15-16(25)6-5-7-17(15)26/h5-8,10,29H,4,9,11-12H2,1-3H3,(H,27,31)(H,32,33)
InChIKeyJDEVFSBMVVQDMG-UHFFFAOYSA-N
MW478.47 g/mol
LogP4.14
Rot. Bonds9

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

[1-[[8-[(2,6-difluorophenyl)methoxy]-6-(fluoromethyl)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylbutan-2-yl]carbamic acid (PubChem CID 118389660) has the molecular formula C23H25F3N4O4 and a molecular weight of 478.47 g/mol. Its IUPAC name is [1-[[8-[(2,6-difluorophenyl)methoxy]-6-(fluoromethyl)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylbutan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-[[8-[(2,6-difluorophenyl)methoxy]-6-(fluoromethyl)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylbutan-2-yl]carbamic acid
PubChem CID118389660
Molecular FormulaC23H25F3N4O4
Molecular Weight478.47 g/mol
Exact Mass478.18
IUPAC Name[1-[[8-[(2,6-difluorophenyl)methoxy]-6-(fluoromethyl)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylbutan-2-yl]carbamic acid
SMILESCCC(C)(CNC(=O)c1c(C)nc2c(OCc3c(F)cccc3F)cc(CF)cn12)NC(=O)O
InChIInChI=1S/C23H25F3N4O4/c1-4-23(3,29-22(32)33)12-27-21(31)19-13(2)28-20-18(8-14(9-24)10-30(19)20)34-11-15-16(25)6-5-7-17(15)26/h5-8,10,29H,4,9,11-12H2,1-3H3,(H,27,31)(H,32,33)
InChIKeyJDEVFSBMVVQDMG-UHFFFAOYSA-N
XLogP4.14
TPSA104.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.47
LogP ≤ 54.14
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]-6-(fluoromethyl)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylbutan-2-yl]carbamic acid?
The IUPAC name of [1-[[8-[(2,6-difluorophenyl)methoxy]-6-(fluoromethyl)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylbutan-2-yl]carbamic acid (CID 118389660) is [1-[[8-[(2,6-difluorophenyl)methoxy]-6-(fluoromethyl)-2-methylimidazo[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]-6-(fluoromethyl)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylbutan-2-yl]carbamic acid?
The canonical SMILES for [1-[[8-[(2,6-difluorophenyl)methoxy]-6-(fluoromethyl)-2-methylimidazo[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(CF)cn12)NC(=O)O.
What is the InChIKey of [1-[[8-[(2,6-difluorophenyl)methoxy]-6-(fluoromethyl)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylbutan-2-yl]carbamic acid?
The InChIKey is JDEVFSBMVVQDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N4O4/c1-4-23(3,29-22(32)33)12-27-21(31)19-13(2)28-20-18(8-14(9-24)10-30(19)20)34-11-15-16(25)6-5-7-17(15)26/h5-8,10,29H,4,9,11-12H2,1-3H3,(H,27,31)(H,32,33).
What are the key properties of [1-[[8-[(2,6-difluorophenyl)methoxy]-6-(fluoromethyl)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylbutan-2-yl]carbamic acid?
[1-[[8-[(2,6-difluorophenyl)methoxy]-6-(fluoromethyl)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylbutan-2-yl]carbamic acid has a molecular weight of 478.47 g/mol, XLogP of 4.14, 9 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]-6-(fluoromethyl)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylbutan-2-yl]carbamic acid is sourced from PubChem (CID 118389660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).