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

C34H36F5N5O8 — CID 129068635

IUPAC6-[1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-ethylpyridine-2-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESCCc1ccc(C(CNC(=O)OC(C)(C)C)NC(=O)c2c(C)nc3c(OCc4c(F)cccc4F)cc(C)cn23)nc1C(=O)O.O=C(O)C(F)(F)F
InChIInChI=1S/C32H35F2N5O6.C2HF3O2/c1-7-19-11-12-23(37-26(19)30(41)42)24(14-35-31(43)45-32(4,5)6)38-29(40)27-18(3)36-28-25(13-17(2)15-39(27)28)44-16-20-21(33)9-8-10-22(20)34;3-2(4,5)1(6)7/h8-13,15,24H,7,14,16H2,1-6H3,(H,35,43)(H,38,40)(H,41,42);(H,6,7)
InChIKeyGDJYAWFTVKLISB-UHFFFAOYSA-N
MW737.68 g/mol
LogP6.09
Rot. Bonds10

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]-3-ethylpyridine-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]-3-ethylpyridine-2-carboxylic acid;2,2,2-trifluoroacetic acid (PubChem CID 129068635) has the molecular formula C34H36F5N5O8 and a molecular weight of 737.68 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]-3-ethylpyridine-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]-3-ethylpyridine-2-carboxylic acid;2,2,2-trifluoroacetic acid
PubChem CID129068635
Molecular FormulaC34H36F5N5O8
Molecular Weight737.68 g/mol
Exact Mass737.25
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]-3-ethylpyridine-2-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESCCc1ccc(C(CNC(=O)OC(C)(C)C)NC(=O)c2c(C)nc3c(OCc4c(F)cccc4F)cc(C)cn23)nc1C(=O)O.O=C(O)C(F)(F)F
InChIInChI=1S/C32H35F2N5O6.C2HF3O2/c1-7-19-11-12-23(37-26(19)30(41)42)24(14-35-31(43)45-32(4,5)6)38-29(40)27-18(3)36-28-25(13-17(2)15-39(27)28)44-16-20-21(33)9-8-10-22(20)34;3-2(4,5)1(6)7/h8-13,15,24H,7,14,16H2,1-6H3,(H,35,43)(H,38,40)(H,41,42);(H,6,7)
InChIKeyGDJYAWFTVKLISB-UHFFFAOYSA-N
XLogP6.09
TPSA181.45 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.68
LogP ≤ 56.09
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]-3-ethylpyridine-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]-3-ethylpyridine-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]-3-ethylpyridine-2-carboxylic acid;2,2,2-trifluoroacetic acid (CID 129068635) 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]-3-ethylpyridine-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]-3-ethylpyridine-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]-3-ethylpyridine-2-carboxylic acid;2,2,2-trifluoroacetic acid is CCc1ccc(C(CNC(=O)OC(C)(C)C)NC(=O)c2c(C)nc3c(OCc4c(F)cccc4F)cc(C)cn23)nc1C(=O)O.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]-3-ethylpyridine-2-carboxylic acid;2,2,2-trifluoroacetic acid?
The InChIKey is GDJYAWFTVKLISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35F2N5O6.C2HF3O2/c1-7-19-11-12-23(37-26(19)30(41)42)24(14-35-31(43)45-32(4,5)6)38-29(40)27-18(3)36-28-25(13-17(2)15-39(27)28)44-16-20-21(33)9-8-10-22(20)34;3-2(4,5)1(6)7/h8-13,15,24H,7,14,16H2,1-6H3,(H,35,43)(H,38,40)(H,41,42);(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]-3-ethylpyridine-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]-3-ethylpyridine-2-carboxylic acid;2,2,2-trifluoroacetic acid has a molecular weight of 737.68 g/mol, XLogP of 6.09, 10 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]-3-ethylpyridine-2-carboxylic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 129068635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).