[1-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5,5,5-trifluoro-2-methylpentan-2-yl] carbamate;2,2,2-trifluoroacetic acid

C25H24F8N4O6 — CID 172809275

IUPAC[1-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5,5,5-trifluoro-2-methylpentan-2-yl] carbamate;2,2,2-trifluoroacetic acid
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)NCC(C)(CCC(F)(F)F)OC(N)=O.O=C(O)C(F)(F)F
InChIInChI=1S/C23H23F5N4O4.C2HF3O2/c1-13-18(20(33)30-12-22(2,36-21(29)34)8-9-23(26,27)28)32-10-4-7-17(19(32)31-13)35-11-14-15(24)5-3-6-16(14)25;3-2(4,5)1(6)7/h3-7,10H,8-9,11-12H2,1-2H3,(H2,29,34)(H,30,33);(H,6,7)
InChIKeyRYCHOQIYXUGHTM-UHFFFAOYSA-N
MW628.47 g/mol
LogP5.06
Rot. Bonds9

About [1-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5,5,5-trifluoro-2-methylpentan-2-yl] carbamate;2,2,2-trifluoroacetic acid

[1-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5,5,5-trifluoro-2-methylpentan-2-yl] carbamate;2,2,2-trifluoroacetic acid (PubChem CID 172809275) has the molecular formula C25H24F8N4O6 and a molecular weight of 628.47 g/mol. Its IUPAC name is [1-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5,5,5-trifluoro-2-methylpentan-2-yl] carbamate;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[1-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5,5,5-trifluoro-2-methylpentan-2-yl] carbamate;2,2,2-trifluoroacetic acid
PubChem CID172809275
Molecular FormulaC25H24F8N4O6
Molecular Weight628.47 g/mol
Exact Mass628.16
IUPAC Name[1-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5,5,5-trifluoro-2-methylpentan-2-yl] carbamate;2,2,2-trifluoroacetic acid
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)NCC(C)(CCC(F)(F)F)OC(N)=O.O=C(O)C(F)(F)F
InChIInChI=1S/C23H23F5N4O4.C2HF3O2/c1-13-18(20(33)30-12-22(2,36-21(29)34)8-9-23(26,27)28)32-10-4-7-17(19(32)31-13)35-11-14-15(24)5-3-6-16(14)25;3-2(4,5)1(6)7/h3-7,10H,8-9,11-12H2,1-2H3,(H2,29,34)(H,30,33);(H,6,7)
InChIKeyRYCHOQIYXUGHTM-UHFFFAOYSA-N
XLogP5.06
TPSA145.25 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.47
LogP ≤ 55.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [1-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5,5,5-trifluoro-2-methylpentan-2-yl] carbamate;2,2,2-trifluoroacetic acid 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
(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-(7,7,7-trifluoro-2-hydroxy-2-methylheptan-3-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 90115694
N-(2-amino-5,5-difluoro-2-methylhexyl)-2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide
CID 126628298
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
[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
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]-N-(3-hydroxybutyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90135188
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]-N-[1-hydroxy-2-(5-methyl-1,3,4-thiadiazol-2-yl)propan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 118321207
8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-(6,6,6-trifluoro-1-hydroxyhexan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 90115184
8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl chloride
CID 86717886

Frequently Asked Questions

What is the IUPAC name of [1-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5,5,5-trifluoro-2-methylpentan-2-yl] carbamate;2,2,2-trifluoroacetic acid?
The IUPAC name of [1-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5,5,5-trifluoro-2-methylpentan-2-yl] carbamate;2,2,2-trifluoroacetic acid (CID 172809275) is [1-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5,5,5-trifluoro-2-methylpentan-2-yl] carbamate;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [1-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5,5,5-trifluoro-2-methylpentan-2-yl] carbamate;2,2,2-trifluoroacetic acid?
The canonical SMILES for [1-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5,5,5-trifluoro-2-methylpentan-2-yl] carbamate;2,2,2-trifluoroacetic acid is Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)NCC(C)(CCC(F)(F)F)OC(N)=O.O=C(O)C(F)(F)F.
What is the InChIKey of [1-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5,5,5-trifluoro-2-methylpentan-2-yl] carbamate;2,2,2-trifluoroacetic acid?
The InChIKey is RYCHOQIYXUGHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F5N4O4.C2HF3O2/c1-13-18(20(33)30-12-22(2,36-21(29)34)8-9-23(26,27)28)32-10-4-7-17(19(32)31-13)35-11-14-15(24)5-3-6-16(14)25;3-2(4,5)1(6)7/h3-7,10H,8-9,11-12H2,1-2H3,(H2,29,34)(H,30,33);(H,6,7).
What are the key properties of [1-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5,5,5-trifluoro-2-methylpentan-2-yl] carbamate;2,2,2-trifluoroacetic acid?
[1-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5,5,5-trifluoro-2-methylpentan-2-yl] carbamate;2,2,2-trifluoroacetic acid has a molecular weight of 628.47 g/mol, XLogP of 5.06, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5,5,5-trifluoro-2-methylpentan-2-yl] carbamate;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 172809275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).