1-[2-(3,5-dimethylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea

C24H21F3N4O — CID 42694876

IUPAC1-[2-(3,5-dimethylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESCc1cc(C)cc(-c2nc3cc(C)ccn3c2NC(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C24H21F3N4O/c1-14-7-8-31-20(12-14)29-21(17-10-15(2)9-16(3)11-17)22(31)30-23(32)28-19-6-4-5-18(13-19)24(25,26)27/h4-13H,1-3H3,(H2,28,30,32)
InChIKeyFWWNQZPWLOCNRA-UHFFFAOYSA-N
MW438.45 g/mol
LogP6.59
Rot. Bonds3

About 1-[2-(3,5-dimethylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea

1-[2-(3,5-dimethylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 42694876) has the molecular formula C24H21F3N4O and a molecular weight of 438.45 g/mol. Its IUPAC name is 1-[2-(3,5-dimethylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[2-(3,5-dimethylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID42694876
Molecular FormulaC24H21F3N4O
Molecular Weight438.45 g/mol
Exact Mass438.17
IUPAC Name1-[2-(3,5-dimethylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESCc1cc(C)cc(-c2nc3cc(C)ccn3c2NC(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C24H21F3N4O/c1-14-7-8-31-20(12-14)29-21(17-10-15(2)9-16(3)11-17)22(31)30-23(32)28-19-6-4-5-18(13-19)24(25,26)27/h4-13H,1-3H3,(H2,28,30,32)
InChIKeyFWWNQZPWLOCNRA-UHFFFAOYSA-N
XLogP6.59
TPSA58.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.45
LogP ≤ 56.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-(3,5-dimethylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea with MolForge

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Related Compounds

1-(2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 50847939
N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 42694075
1-(4-chlorophenyl)-3-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)urea
CID 42694832
N-[2-(3-chlorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3,5-bis(trifluoromethyl)benzamide
CID 42694362
N-[2-(3,5-dimethylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-methoxyacetamide
CID 42694795
8-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 4151352
cis-(1S,2R)-N-[2-(3,5-dimethylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-phenylcyclopropane-1-carboxamide
CID 93017110
1-(2,5-dimethylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 4101764
N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
CID 970620
(2S)-2-chloro-N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
CID 93016859
N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)pyridine-2-carboxamide
CID 17417375
1-(1-methylpyrazol-4-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 47264322

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[2-(3,5-dimethylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea (CID 42694876) is 1-[2-(3,5-dimethylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[2-(3,5-dimethylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[2-(3,5-dimethylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea is Cc1cc(C)cc(-c2nc3cc(C)ccn3c2NC(=O)Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 1-[2-(3,5-dimethylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is FWWNQZPWLOCNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O/c1-14-7-8-31-20(12-14)29-21(17-10-15(2)9-16(3)11-17)22(31)30-23(32)28-19-6-4-5-18(13-19)24(25,26)27/h4-13H,1-3H3,(H2,28,30,32).
What are the key properties of 1-[2-(3,5-dimethylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea?
1-[2-(3,5-dimethylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 438.45 g/mol, XLogP of 6.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 42694876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).