[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

C27H31F5N4O6 — CID 90232400

IUPAC[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
SMILESCCCC(C)(CNC(=O)c1c(CC)nc2c(OCc3c(F)cccc3F)cc(C)cn12)NC(=O)O.O=C(O)C(F)(F)F
InChIInChI=1S/C25H30F2N4O4.C2HF3O2/c1-5-10-25(4,30-24(33)34)14-28-23(32)21-19(6-2)29-22-20(11-15(3)12-31(21)22)35-13-16-17(26)8-7-9-18(16)27;3-2(4,5)1(6)7/h7-9,11-12,30H,5-6,10,13-14H2,1-4H3,(H,28,32)(H,33,34);(H,6,7)
InChIKeyLMAODLFXLXTSPQ-UHFFFAOYSA-N
MW602.56 g/mol
LogP5.25
Rot. Bonds10

About [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

[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 (PubChem CID 90232400) has the molecular formula C27H31F5N4O6 and a molecular weight of 602.56 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID90232400
Molecular FormulaC27H31F5N4O6
Molecular Weight602.56 g/mol
Exact Mass602.22
IUPAC Name[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
SMILESCCCC(C)(CNC(=O)c1c(CC)nc2c(OCc3c(F)cccc3F)cc(C)cn12)NC(=O)O.O=C(O)C(F)(F)F
InChIInChI=1S/C25H30F2N4O4.C2HF3O2/c1-5-10-25(4,30-24(33)34)14-28-23(32)21-19(6-2)29-22-20(11-15(3)12-31(21)22)35-13-16-17(26)8-7-9-18(16)27;3-2(4,5)1(6)7/h7-9,11-12,30H,5-6,10,13-14H2,1-4H3,(H,28,32)(H,33,34);(H,6,7)
InChIKeyLMAODLFXLXTSPQ-UHFFFAOYSA-N
XLogP5.25
TPSA142.26 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.56
LogP ≤ 55.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze [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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CCCC(C)(CNC(=O)c1c(CC)nc2c(OCc3c(F)cccc3F)cc(C)cn12)NC(=O)O.O=C(O)C(F)(F)F.
What is the InChIKey of [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?
The InChIKey is LMAODLFXLXTSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F2N4O4.C2HF3O2/c1-5-10-25(4,30-24(33)34)14-28-23(32)21-19(6-2)29-22-20(11-15(3)12-31(21)22)35-13-16-17(26)8-7-9-18(16)27;3-2(4,5)1(6)7/h7-9,11-12,30H,5-6,10,13-14H2,1-4H3,(H,28,32)(H,33,34);(H,6,7).
What are the key properties of [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?
[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 has a molecular weight of 602.56 g/mol, XLogP of 5.25, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 90232400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).