6-[1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyridine-2-carboxylic acid;2,2,2-trifluoroacetic acid

C32H32F5N5O8 — CID 90232681

IUPAC6-[1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyridine-2-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESCc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)NC(CNC(=O)OC(C)(C)C)c3cccc(C(=O)O)n3)n2c1.O=C(O)C(F)(F)F
InChIInChI=1S/C30H31F2N5O6.C2HF3O2/c1-16-12-24(42-15-18-19(31)8-6-9-20(18)32)26-34-17(2)25(37(26)14-16)27(38)36-23(13-33-29(41)43-30(3,4)5)21-10-7-11-22(35-21)28(39)40;3-2(4,5)1(6)7/h6-12,14,23H,13,15H2,1-5H3,(H,33,41)(H,36,38)(H,39,40);(H,6,7)
InChIKeyMJGOWHOTJFQWJZ-UHFFFAOYSA-N
MW709.62 g/mol
LogP5.53
Rot. Bonds9

About 6-[1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyridine-2-carboxylic acid;2,2,2-trifluoroacetic acid

6-[1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyridine-2-carboxylic acid;2,2,2-trifluoroacetic acid (PubChem CID 90232681) has the molecular formula C32H32F5N5O8 and a molecular weight of 709.62 g/mol. Its IUPAC name is 6-[1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyridine-2-carboxylic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-[1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyridine-2-carboxylic acid;2,2,2-trifluoroacetic acid
PubChem CID90232681
Molecular FormulaC32H32F5N5O8
Molecular Weight709.62 g/mol
Exact Mass709.22
IUPAC Name6-[1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyridine-2-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESCc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)NC(CNC(=O)OC(C)(C)C)c3cccc(C(=O)O)n3)n2c1.O=C(O)C(F)(F)F
InChIInChI=1S/C30H31F2N5O6.C2HF3O2/c1-16-12-24(42-15-18-19(31)8-6-9-20(18)32)26-34-17(2)25(37(26)14-16)27(38)36-23(13-33-29(41)43-30(3,4)5)21-10-7-11-22(35-21)28(39)40;3-2(4,5)1(6)7/h6-12,14,23H,13,15H2,1-5H3,(H,33,41)(H,36,38)(H,39,40);(H,6,7)
InChIKeyMJGOWHOTJFQWJZ-UHFFFAOYSA-N
XLogP5.53
TPSA181.45 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.62
LogP ≤ 55.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 6-[1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyridine-2-carboxylic acid;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyridine-2-carboxylic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-[1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyridine-2-carboxylic acid;2,2,2-trifluoroacetic acid (CID 90232681) is 6-[1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyridine-2-carboxylic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-[1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyridine-2-carboxylic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-[1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyridine-2-carboxylic acid;2,2,2-trifluoroacetic acid is Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)NC(CNC(=O)OC(C)(C)C)c3cccc(C(=O)O)n3)n2c1.O=C(O)C(F)(F)F.
What is the InChIKey of 6-[1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyridine-2-carboxylic acid;2,2,2-trifluoroacetic acid?
The InChIKey is MJGOWHOTJFQWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31F2N5O6.C2HF3O2/c1-16-12-24(42-15-18-19(31)8-6-9-20(18)32)26-34-17(2)25(37(26)14-16)27(38)36-23(13-33-29(41)43-30(3,4)5)21-10-7-11-22(35-21)28(39)40;3-2(4,5)1(6)7/h6-12,14,23H,13,15H2,1-5H3,(H,33,41)(H,36,38)(H,39,40);(H,6,7).
What are the key properties of 6-[1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyridine-2-carboxylic acid;2,2,2-trifluoroacetic acid?
6-[1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyridine-2-carboxylic acid;2,2,2-trifluoroacetic acid has a molecular weight of 709.62 g/mol, XLogP of 5.53, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyridine-2-carboxylic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 90232681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).