ethyl 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-carboxylate;2,2,2-trifluoroacetic acid

C34H36F5N5O8 — CID 129068638

IUPACethyl 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-carboxylate;2,2,2-trifluoroacetic acid
SMILESCCOC(=O)c1cccc(C(CNC(=O)OC(C)(C)C)NC(=O)c2c(C)nc3c(OCc4c(F)cccc4F)cc(C)cn23)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C32H35F2N5O6.C2HF3O2/c1-7-43-30(41)24-13-9-12-23(37-24)25(15-35-31(42)45-32(4,5)6)38-29(40)27-19(3)36-28-26(14-18(2)16-39(27)28)44-17-20-21(33)10-8-11-22(20)34;3-2(4,5)1(6)7/h8-14,16,25H,7,15,17H2,1-6H3,(H,35,42)(H,38,40);(H,6,7)
InChIKeyCUEQBWAHNOSILJ-UHFFFAOYSA-N
MW737.68 g/mol
LogP6.01
Rot. Bonds10

About ethyl 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-carboxylate;2,2,2-trifluoroacetic acid

ethyl 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-carboxylate;2,2,2-trifluoroacetic acid (PubChem CID 129068638) has the molecular formula C34H36F5N5O8 and a molecular weight of 737.68 g/mol. Its IUPAC name is ethyl 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-carboxylate;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Nameethyl 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-carboxylate;2,2,2-trifluoroacetic acid
PubChem CID129068638
Molecular FormulaC34H36F5N5O8
Molecular Weight737.68 g/mol
Exact Mass737.25
IUPAC Nameethyl 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-carboxylate;2,2,2-trifluoroacetic acid
SMILESCCOC(=O)c1cccc(C(CNC(=O)OC(C)(C)C)NC(=O)c2c(C)nc3c(OCc4c(F)cccc4F)cc(C)cn23)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C32H35F2N5O6.C2HF3O2/c1-7-43-30(41)24-13-9-12-23(37-24)25(15-35-31(42)45-32(4,5)6)38-29(40)27-19(3)36-28-26(14-18(2)16-39(27)28)44-17-20-21(33)10-8-11-22(20)34;3-2(4,5)1(6)7/h8-14,16,25H,7,15,17H2,1-6H3,(H,35,42)(H,38,40);(H,6,7)
InChIKeyCUEQBWAHNOSILJ-UHFFFAOYSA-N
XLogP6.01
TPSA170.45 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.68
LogP ≤ 56.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze ethyl 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-carboxylate;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 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-carboxylate;2,2,2-trifluoroacetic acid?
The IUPAC name of ethyl 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-carboxylate;2,2,2-trifluoroacetic acid (CID 129068638) is ethyl 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-carboxylate;2,2,2-trifluoroacetic acid.
What is the SMILES notation for ethyl 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-carboxylate;2,2,2-trifluoroacetic acid?
The canonical SMILES for ethyl 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-carboxylate;2,2,2-trifluoroacetic acid is CCOC(=O)c1cccc(C(CNC(=O)OC(C)(C)C)NC(=O)c2c(C)nc3c(OCc4c(F)cccc4F)cc(C)cn23)n1.O=C(O)C(F)(F)F.
What is the InChIKey of ethyl 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-carboxylate;2,2,2-trifluoroacetic acid?
The InChIKey is CUEQBWAHNOSILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35F2N5O6.C2HF3O2/c1-7-43-30(41)24-13-9-12-23(37-24)25(15-35-31(42)45-32(4,5)6)38-29(40)27-19(3)36-28-26(14-18(2)16-39(27)28)44-17-20-21(33)10-8-11-22(20)34;3-2(4,5)1(6)7/h8-14,16,25H,7,15,17H2,1-6H3,(H,35,42)(H,38,40);(H,6,7).
What are the key properties of ethyl 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-carboxylate;2,2,2-trifluoroacetic acid?
ethyl 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-carboxylate;2,2,2-trifluoroacetic acid has a molecular weight of 737.68 g/mol, XLogP of 6.01, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 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-carboxylate;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 129068638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).