[1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4,4,4-trifluorobutan-2-yl]carbamic acid

C22H21F5N4O4 — CID 90114298

IUPAC[1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4,4,4-trifluorobutan-2-yl]carbamic acid
SMILESCc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)NCC(CC(F)(F)F)NC(=O)O)n2c1
InChIInChI=1S/C22H21F5N4O4/c1-11-6-17(35-10-14-15(23)4-3-5-16(14)24)19-29-12(2)18(31(19)9-11)20(32)28-8-13(30-21(33)34)7-22(25,26)27/h3-6,9,13,30H,7-8,10H2,1-2H3,(H,28,32)(H,33,34)
InChIKeyDDVUQOYTRNHTIU-UHFFFAOYSA-N
MW500.42 g/mol
LogP4.13
Rot. Bonds8

About [1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4,4,4-trifluorobutan-2-yl]carbamic acid

[1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4,4,4-trifluorobutan-2-yl]carbamic acid (PubChem CID 90114298) has the molecular formula C22H21F5N4O4 and a molecular weight of 500.42 g/mol. Its IUPAC name is [1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4,4,4-trifluorobutan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4,4,4-trifluorobutan-2-yl]carbamic acid
PubChem CID90114298
Molecular FormulaC22H21F5N4O4
Molecular Weight500.42 g/mol
Exact Mass500.15
IUPAC Name[1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4,4,4-trifluorobutan-2-yl]carbamic acid
SMILESCc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)NCC(CC(F)(F)F)NC(=O)O)n2c1
InChIInChI=1S/C22H21F5N4O4/c1-11-6-17(35-10-14-15(23)4-3-5-16(14)24)19-29-12(2)18(31(19)9-11)20(32)28-8-13(30-21(33)34)7-22(25,26)27/h3-6,9,13,30H,7-8,10H2,1-2H3,(H,28,32)(H,33,34)
InChIKeyDDVUQOYTRNHTIU-UHFFFAOYSA-N
XLogP4.13
TPSA104.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.42
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]propan-2-ylcarbamic acid
CID 90114031
[1-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4,4,4-trifluorobutan-2-yl]carbamic acid;2,2,2-trifluoroacetic acid
CID 90114133
N-(2-aminopropyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 90114683
8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 86717884
N-(2-amino-4-cyanobutyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 118385981
N-[(E)-2-aminohex-4-enyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 118403400
[1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylbutan-2-yl]carbamic acid
CID 90114214
N-(2-amino-2-methylpentyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 90114235
8-[(2,6-difluorophenyl)methoxy]-6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 86724683
8-[(2,6-difluorophenyl)methoxy]-2,6-dimethyl-N-prop-2-enoxyimidazo[1,2-a]pyridine-3-carboxamide
CID 118402064
tert-butyl 4-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4-methylpentanoate
CID 147590375
N-[2-amino-1-(3,4-difluorophenyl)ethyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 86717950

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]-4,4,4-trifluorobutan-2-yl]carbamic acid?
The IUPAC name of [1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4,4,4-trifluorobutan-2-yl]carbamic acid (CID 90114298) is [1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4,4,4-trifluorobutan-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]-4,4,4-trifluorobutan-2-yl]carbamic acid?
The canonical SMILES for [1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4,4,4-trifluorobutan-2-yl]carbamic acid is Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)NCC(CC(F)(F)F)NC(=O)O)n2c1.
What is the InChIKey of [1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4,4,4-trifluorobutan-2-yl]carbamic acid?
The InChIKey is DDVUQOYTRNHTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F5N4O4/c1-11-6-17(35-10-14-15(23)4-3-5-16(14)24)19-29-12(2)18(31(19)9-11)20(32)28-8-13(30-21(33)34)7-22(25,26)27/h3-6,9,13,30H,7-8,10H2,1-2H3,(H,28,32)(H,33,34).
What are the key properties of [1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4,4,4-trifluorobutan-2-yl]carbamic acid?
[1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4,4,4-trifluorobutan-2-yl]carbamic acid has a molecular weight of 500.42 g/mol, XLogP of 4.13, 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]-4,4,4-trifluorobutan-2-yl]carbamic acid is sourced from PubChem (CID 90114298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).