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

C26H29F5N4O7 — CID 90232485

IUPAC[1-[[8-[(2,6-difluorophenyl)methoxy]-6-methoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylpentan-2-yl]carbamic acid;2,2,2-trifluoroacetic acid
SMILESCCCC(C)(CNC(=O)c1c(C)nc2c(OCc3c(F)cccc3F)cc(OC)cn12)NC(=O)O.O=C(O)C(F)(F)F
InChIInChI=1S/C24H28F2N4O5.C2HF3O2/c1-5-9-24(3,29-23(32)33)13-27-22(31)20-14(2)28-21-19(10-15(34-4)11-30(20)21)35-12-16-17(25)7-6-8-18(16)26;3-2(4,5)1(6)7/h6-8,10-11,29H,5,9,12-13H2,1-4H3,(H,27,31)(H,32,33);(H,6,7)
InChIKeyIKVGJGJEHPABLE-UHFFFAOYSA-N
MW604.53 g/mol
LogP4.70
Rot. Bonds10

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

[1-[[8-[(2,6-difluorophenyl)methoxy]-6-methoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylpentan-2-yl]carbamic acid;2,2,2-trifluoroacetic acid (PubChem CID 90232485) has the molecular formula C26H29F5N4O7 and a molecular weight of 604.53 g/mol. Its IUPAC name is [1-[[8-[(2,6-difluorophenyl)methoxy]-6-methoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylpentan-2-yl]carbamic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[1-[[8-[(2,6-difluorophenyl)methoxy]-6-methoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylpentan-2-yl]carbamic acid;2,2,2-trifluoroacetic acid
PubChem CID90232485
Molecular FormulaC26H29F5N4O7
Molecular Weight604.53 g/mol
Exact Mass604.20
IUPAC Name[1-[[8-[(2,6-difluorophenyl)methoxy]-6-methoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylpentan-2-yl]carbamic acid;2,2,2-trifluoroacetic acid
SMILESCCCC(C)(CNC(=O)c1c(C)nc2c(OCc3c(F)cccc3F)cc(OC)cn12)NC(=O)O.O=C(O)C(F)(F)F
InChIInChI=1S/C24H28F2N4O5.C2HF3O2/c1-5-9-24(3,29-23(32)33)13-27-22(31)20-14(2)28-21-19(10-15(34-4)11-30(20)21)35-12-16-17(25)7-6-8-18(16)26;3-2(4,5)1(6)7/h6-8,10-11,29H,5,9,12-13H2,1-4H3,(H,27,31)(H,32,33);(H,6,7)
InChIKeyIKVGJGJEHPABLE-UHFFFAOYSA-N
XLogP4.70
TPSA151.49 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500604.53
LogP ≤ 54.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze [1-[[8-[(2,6-difluorophenyl)methoxy]-6-methoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylpentan-2-yl]carbamic acid;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

[1-[[8-[(2,6-difluorophenyl)methoxy]-2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylpentan-2-yl]carbamic acid;2,2,2-trifluoroacetic acid
CID 90232400
N-(2-amino-2-methylbutyl)-8-[(2,6-difluorophenyl)methoxy]-6-methoxy-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 86724740
[1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylbutan-2-yl]carbamic acid
CID 90114214
[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
[1-[[8-[(2,6-difluorophenyl)methoxy]-6-(fluoromethyl)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-fluoro-2-methylpropan-2-yl]carbamic acid
CID 118389641
benzyl N-[1-[[6-(difluoromethyl)-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylpentan-2-yl]carbamate
CID 86724674
N-(2-amino-2-methylpentyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 90114235
benzyl N-[1-[[8-[(2,6-difluorophenyl)methoxy]-2-methyl-6-[2-(trimethyl-λ4-sulfanyl)ethynyl]imidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylpentan-2-yl]carbamate
CID 129034305
3-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]propylcarbamic acid;2,2,2-trifluoroacetic acid
CID 90114047
tert-butyl N-[4-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylbutan-2-yl]carbamate;2,2,2-trifluoroacetic acid
CID 86717905
N-(2-amino-2-methylbutyl)-8-[(2,6-difluorophenyl)methoxy]-6-(fluoromethyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90251291
benzyl N-[1-[[8-[(2,6-difluorophenyl)methoxy]-6-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylbutan-2-yl]carbamate
CID 118403120

Frequently Asked Questions

What is the IUPAC name of [1-[[8-[(2,6-difluorophenyl)methoxy]-6-methoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylpentan-2-yl]carbamic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of [1-[[8-[(2,6-difluorophenyl)methoxy]-6-methoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylpentan-2-yl]carbamic acid;2,2,2-trifluoroacetic acid (CID 90232485) is [1-[[8-[(2,6-difluorophenyl)methoxy]-6-methoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylpentan-2-yl]carbamic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [1-[[8-[(2,6-difluorophenyl)methoxy]-6-methoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylpentan-2-yl]carbamic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for [1-[[8-[(2,6-difluorophenyl)methoxy]-6-methoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylpentan-2-yl]carbamic acid;2,2,2-trifluoroacetic acid is CCCC(C)(CNC(=O)c1c(C)nc2c(OCc3c(F)cccc3F)cc(OC)cn12)NC(=O)O.O=C(O)C(F)(F)F.
What is the InChIKey of [1-[[8-[(2,6-difluorophenyl)methoxy]-6-methoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylpentan-2-yl]carbamic acid;2,2,2-trifluoroacetic acid?
The InChIKey is IKVGJGJEHPABLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2N4O5.C2HF3O2/c1-5-9-24(3,29-23(32)33)13-27-22(31)20-14(2)28-21-19(10-15(34-4)11-30(20)21)35-12-16-17(25)7-6-8-18(16)26;3-2(4,5)1(6)7/h6-8,10-11,29H,5,9,12-13H2,1-4H3,(H,27,31)(H,32,33);(H,6,7).
What are the key properties of [1-[[8-[(2,6-difluorophenyl)methoxy]-6-methoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylpentan-2-yl]carbamic acid;2,2,2-trifluoroacetic acid?
[1-[[8-[(2,6-difluorophenyl)methoxy]-6-methoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylpentan-2-yl]carbamic acid;2,2,2-trifluoroacetic acid has a molecular weight of 604.53 g/mol, XLogP of 4.70, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[8-[(2,6-difluorophenyl)methoxy]-6-methoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylpentan-2-yl]carbamic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 90232485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).