2-methyl-2-[4-[3-[3-(5,5,5-trifluoro-2-oxopentyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]propanoic acid

C25H23F3N4O3 — CID 153263517

IUPAC2-methyl-2-[4-[3-[3-(5,5,5-trifluoro-2-oxopentyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]propanoic acid
SMILESCC(C)(C(=O)O)n1cc(-c2ccn3c(-c4cccc(CC(=O)CCC(F)(F)F)c4)cnc3c2)cn1
InChIInChI=1S/C25H23F3N4O3/c1-24(2,23(34)35)32-15-19(13-30-32)17-7-9-31-21(14-29-22(31)12-17)18-5-3-4-16(10-18)11-20(33)6-8-25(26,27)28/h3-5,7,9-10,12-15H,6,8,11H2,1-2H3,(H,34,35)
InChIKeyWVSCVTNGWRFSMW-UHFFFAOYSA-N
MW484.48 g/mol
LogP5.14
Rot. Bonds8

About 2-methyl-2-[4-[3-[3-(5,5,5-trifluoro-2-oxopentyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]propanoic acid

2-methyl-2-[4-[3-[3-(5,5,5-trifluoro-2-oxopentyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]propanoic acid (PubChem CID 153263517) has the molecular formula C25H23F3N4O3 and a molecular weight of 484.48 g/mol. Its IUPAC name is 2-methyl-2-[4-[3-[3-(5,5,5-trifluoro-2-oxopentyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[4-[3-[3-(5,5,5-trifluoro-2-oxopentyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]propanoic acid
PubChem CID153263517
Molecular FormulaC25H23F3N4O3
Molecular Weight484.48 g/mol
Exact Mass484.17
IUPAC Name2-methyl-2-[4-[3-[3-(5,5,5-trifluoro-2-oxopentyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]propanoic acid
SMILESCC(C)(C(=O)O)n1cc(-c2ccn3c(-c4cccc(CC(=O)CCC(F)(F)F)c4)cnc3c2)cn1
InChIInChI=1S/C25H23F3N4O3/c1-24(2,23(34)35)32-15-19(13-30-32)17-7-9-31-21(14-29-22(31)12-17)18-5-3-4-16(10-18)11-20(33)6-8-25(26,27)28/h3-5,7,9-10,12-15H,6,8,11H2,1-2H3,(H,34,35)
InChIKeyWVSCVTNGWRFSMW-UHFFFAOYSA-N
XLogP5.14
TPSA89.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.48
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(R)-3-cyclobutyl-2-((3S,4S)-3-(3-fluorophenyl)-4-((4-(imidazo[1,2-b]pyridazin-3-yl)piperidin-1-yl)methyl)pyrrolidin-1-yl)propanoic acid
CID 44565791
Ethyl 2-methyl-2-[4-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]propanoate
CID 44546691
2-(1,5-Dimethylpyrazol-3-yl)-1-methyl-7-[3-[[2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]imidazo[4,5-c]pyridine;tris(2,2,2-trifluoroacetic acid)
CID 44528317
2-[4-[4-(4-Fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]triazol-1-yl]acetic acid
CID 76325320
2-Methyl-2-[4-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]propanoic acid
CID 44546844
1-[3-[7-[1-(1-Hydroxy-2-methylpropan-2-yl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 68163020
3-[[2-Fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-2-phenylimidazo[1,5-a]pyrimidine-6-carboxylic acid
CID 122604067
N-[2-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 122604072
N-[2-(2-hydroxypropan-2-yl)-6-phenylimidazo[1,2-a]pyridin-5-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 122604082
N-[3-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyridin-8-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 122609260
US10800784, Example 16
CID 146800392
US10800784, Example 15
CID 147497583

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[3-[3-(5,5,5-trifluoro-2-oxopentyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[4-[3-[3-(5,5,5-trifluoro-2-oxopentyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]propanoic acid (CID 153263517) is 2-methyl-2-[4-[3-[3-(5,5,5-trifluoro-2-oxopentyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[4-[3-[3-(5,5,5-trifluoro-2-oxopentyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[4-[3-[3-(5,5,5-trifluoro-2-oxopentyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]propanoic acid is CC(C)(C(=O)O)n1cc(-c2ccn3c(-c4cccc(CC(=O)CCC(F)(F)F)c4)cnc3c2)cn1.
What is the InChIKey of 2-methyl-2-[4-[3-[3-(5,5,5-trifluoro-2-oxopentyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]propanoic acid?
The InChIKey is WVSCVTNGWRFSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O3/c1-24(2,23(34)35)32-15-19(13-30-32)17-7-9-31-21(14-29-22(31)12-17)18-5-3-4-16(10-18)11-20(33)6-8-25(26,27)28/h3-5,7,9-10,12-15H,6,8,11H2,1-2H3,(H,34,35).
What are the key properties of 2-methyl-2-[4-[3-[3-(5,5,5-trifluoro-2-oxopentyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]propanoic acid?
2-methyl-2-[4-[3-[3-(5,5,5-trifluoro-2-oxopentyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]propanoic acid has a molecular weight of 484.48 g/mol, XLogP of 5.14, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[3-[3-(5,5,5-trifluoro-2-oxopentyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 153263517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).