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

C27H28ClF5N4O6 — CID 90114028

IUPAC[1-[2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]cyclohexyl]carbamic acid;2,2,2-trifluoroacetic acid
SMILESCc1nc2c(OCc3c(F)cccc3F)cc(Cl)cn2c1C(=O)NCCC1(NC(=O)O)CCCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C25H27ClF2N4O4.C2HF3O2/c1-15-21(23(33)29-11-10-25(31-24(34)35)8-3-2-4-9-25)32-13-16(26)12-20(22(32)30-15)36-14-17-18(27)6-5-7-19(17)28;3-2(4,5)1(6)7/h5-7,12-13,31H,2-4,8-11,14H2,1H3,(H,29,33)(H,34,35);(H,6,7)
InChIKeyMMJJSENDIATDLX-UHFFFAOYSA-N
MW634.99 g/mol
LogP5.88
Rot. Bonds8

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

[1-[2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]cyclohexyl]carbamic acid;2,2,2-trifluoroacetic acid (PubChem CID 90114028) has the molecular formula C27H28ClF5N4O6 and a molecular weight of 634.99 g/mol. Its IUPAC name is [1-[2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]cyclohexyl]carbamic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[1-[2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]cyclohexyl]carbamic acid;2,2,2-trifluoroacetic acid
PubChem CID90114028
Molecular FormulaC27H28ClF5N4O6
Molecular Weight634.99 g/mol
Exact Mass634.16
IUPAC Name[1-[2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]cyclohexyl]carbamic acid;2,2,2-trifluoroacetic acid
SMILESCc1nc2c(OCc3c(F)cccc3F)cc(Cl)cn2c1C(=O)NCCC1(NC(=O)O)CCCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C25H27ClF2N4O4.C2HF3O2/c1-15-21(23(33)29-11-10-25(31-24(34)35)8-3-2-4-9-25)32-13-16(26)12-20(22(32)30-15)36-14-17-18(27)6-5-7-19(17)28;3-2(4,5)1(6)7/h5-7,12-13,31H,2-4,8-11,14H2,1H3,(H,29,33)(H,34,35);(H,6,7)
InChIKeyMMJJSENDIATDLX-UHFFFAOYSA-N
XLogP5.88
TPSA142.26 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.99
LogP ≤ 55.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

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Related Compounds

[1-[2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]cyclohexyl]carbamic acid
CID 90114029
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-3-fluoro-2-methylpropyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 118493182
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
CID 86717906
tert-butyl-[2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylpropyl]carbamic acid
CID 129068696
[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
tert-butyl N-[2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-ethoxypropyl]carbamate
CID 90136017
6-chloro-N-[(2R)-1-chlorohexan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 121301912
6-chloro-8-[(2,6-difluorophenyl)methoxy]-N-(1-hydroxyhexan-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 126636186
[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-5,5,5-trifluoro-2-methylpentyl)-6-chloro-8-[(3-fluoro-2-pyridinyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 118488770

Frequently Asked Questions

What is the IUPAC name of [1-[2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]cyclohexyl]carbamic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of [1-[2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]cyclohexyl]carbamic acid;2,2,2-trifluoroacetic acid (CID 90114028) is [1-[2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]cyclohexyl]carbamic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [1-[2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]cyclohexyl]carbamic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for [1-[2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]cyclohexyl]carbamic acid;2,2,2-trifluoroacetic acid is Cc1nc2c(OCc3c(F)cccc3F)cc(Cl)cn2c1C(=O)NCCC1(NC(=O)O)CCCCC1.O=C(O)C(F)(F)F.
What is the InChIKey of [1-[2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]cyclohexyl]carbamic acid;2,2,2-trifluoroacetic acid?
The InChIKey is MMJJSENDIATDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClF2N4O4.C2HF3O2/c1-15-21(23(33)29-11-10-25(31-24(34)35)8-3-2-4-9-25)32-13-16(26)12-20(22(32)30-15)36-14-17-18(27)6-5-7-19(17)28;3-2(4,5)1(6)7/h5-7,12-13,31H,2-4,8-11,14H2,1H3,(H,29,33)(H,34,35);(H,6,7).
What are the key properties of [1-[2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]cyclohexyl]carbamic acid;2,2,2-trifluoroacetic acid?
[1-[2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]cyclohexyl]carbamic acid;2,2,2-trifluoroacetic acid has a molecular weight of 634.99 g/mol, XLogP of 5.88, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]cyclohexyl]carbamic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 90114028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).