[3-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-1,1,1-trifluoropropan-2-yl] 2,2,2-trifluoroacetate

C21H15F8N3O4 — CID 90115516

IUPAC[3-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-1,1,1-trifluoropropan-2-yl] 2,2,2-trifluoroacetate
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)NCC(OC(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C21H15F8N3O4/c1-10-16(18(33)30-8-15(20(24,25)26)36-19(34)21(27,28)29)32-7-3-6-14(17(32)31-10)35-9-11-12(22)4-2-5-13(11)23/h2-7,15H,8-9H2,1H3,(H,30,33)
InChIKeyCLEFIWWZONBZDB-UHFFFAOYSA-N
MW525.35 g/mol
LogP4.27
Rot. Bonds7

About [3-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-1,1,1-trifluoropropan-2-yl] 2,2,2-trifluoroacetate

[3-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-1,1,1-trifluoropropan-2-yl] 2,2,2-trifluoroacetate (PubChem CID 90115516) has the molecular formula C21H15F8N3O4 and a molecular weight of 525.35 g/mol. Its IUPAC name is [3-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-1,1,1-trifluoropropan-2-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[3-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-1,1,1-trifluoropropan-2-yl] 2,2,2-trifluoroacetate
PubChem CID90115516
Molecular FormulaC21H15F8N3O4
Molecular Weight525.35 g/mol
Exact Mass525.09
IUPAC Name[3-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-1,1,1-trifluoropropan-2-yl] 2,2,2-trifluoroacetate
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)NCC(OC(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C21H15F8N3O4/c1-10-16(18(33)30-8-15(20(24,25)26)36-19(34)21(27,28)29)32-7-3-6-14(17(32)31-10)35-9-11-12(22)4-2-5-13(11)23/h2-7,15H,8-9H2,1H3,(H,30,33)
InChIKeyCLEFIWWZONBZDB-UHFFFAOYSA-N
XLogP4.27
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.35
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-1,1,1-trifluoropropan-2-yl] 2,2,2-trifluoroacetate with MolForge

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Related Compounds

[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
8-[(2,6-difluorophenyl)methoxy]-N-(3-hydroxybutyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90135188
8-[(2,6-difluorophenyl)methoxy]-N-(3-hydroxy-2-methylbutan-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 129268093
8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl chloride
CID 86717886
benzyl-[1-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4,4,4-trifluorobutan-2-yl]carbamic acid
CID 129068714
(2S)-2-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5,5,5-trifluoropentanoic acid
CID 90116507
8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-(5,5,5-trifluoro-1-hydroxypentan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 90115945
8-[(2,6-difluorophenyl)methoxy]-N-(4,5-dimethyl-1,3-oxazol-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 118144801
methyl 2-[3-[[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]phenyl]-2-methylpropanoate
CID 90090885
8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[(2R,5R)-6,6,6-trifluoro-1,5-dihydroxyhexan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 90115632
8-[(2,6-difluorophenyl)methoxy]-N-[1,3-dihydroxy-2-(4-methylphenyl)propan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90090956
carbon dioxide;8-[(2,6-difluorophenyl)methoxy]-N-[(4-ethylphenyl)methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 160830018

Frequently Asked Questions

What is the IUPAC name of [3-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-1,1,1-trifluoropropan-2-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [3-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-1,1,1-trifluoropropan-2-yl] 2,2,2-trifluoroacetate (CID 90115516) is [3-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-1,1,1-trifluoropropan-2-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [3-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-1,1,1-trifluoropropan-2-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [3-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-1,1,1-trifluoropropan-2-yl] 2,2,2-trifluoroacetate is Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)NCC(OC(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of [3-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-1,1,1-trifluoropropan-2-yl] 2,2,2-trifluoroacetate?
The InChIKey is CLEFIWWZONBZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F8N3O4/c1-10-16(18(33)30-8-15(20(24,25)26)36-19(34)21(27,28)29)32-7-3-6-14(17(32)31-10)35-9-11-12(22)4-2-5-13(11)23/h2-7,15H,8-9H2,1H3,(H,30,33).
What are the key properties of [3-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-1,1,1-trifluoropropan-2-yl] 2,2,2-trifluoroacetate?
[3-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-1,1,1-trifluoropropan-2-yl] 2,2,2-trifluoroacetate has a molecular weight of 525.35 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-1,1,1-trifluoropropan-2-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 90115516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).