1-ethyl-3-[5-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea

C21H18F3N7O — CID 45484763

IUPAC1-ethyl-3-[5-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea
SMILESCCNC(=O)Nc1cn2c(-c3nc(C)cc(C(F)(F)F)n3)cc(-c3cccnc3)cc2n1
InChIInChI=1S/C21H18F3N7O/c1-3-26-20(32)30-17-11-31-15(19-27-12(2)7-16(28-19)21(22,23)24)8-14(9-18(31)29-17)13-5-4-6-25-10-13/h4-11H,3H2,1-2H3,(H2,26,30,32)
InChIKeyJUEGEQYABKTKRI-UHFFFAOYSA-N
MW441.42 g/mol
LogP4.32
Rot. Bonds4

About 1-ethyl-3-[5-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea

1-ethyl-3-[5-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea (PubChem CID 45484763) has the molecular formula C21H18F3N7O and a molecular weight of 441.42 g/mol. Its IUPAC name is 1-ethyl-3-[5-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[5-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea
PubChem CID45484763
Molecular FormulaC21H18F3N7O
Molecular Weight441.42 g/mol
Exact Mass441.15
IUPAC Name1-ethyl-3-[5-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea
SMILESCCNC(=O)Nc1cn2c(-c3nc(C)cc(C(F)(F)F)n3)cc(-c3cccnc3)cc2n1
InChIInChI=1S/C21H18F3N7O/c1-3-26-20(32)30-17-11-31-15(19-27-12(2)7-16(28-19)21(22,23)24)8-14(9-18(31)29-17)13-5-4-6-25-10-13/h4-11H,3H2,1-2H3,(H2,26,30,32)
InChIKeyJUEGEQYABKTKRI-UHFFFAOYSA-N
XLogP4.32
TPSA97.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.42
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-ethyl-3-[5-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-3-[5-(5-methylpyrimidin-2-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea
CID 44555361
1-ethyl-3-[5-(5-propan-2-ylpyrimidin-2-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea
CID 45484816
carbamoyl 3-[2-(ethylcarbamoylamino)-7-pyridin-3-ylimidazo[1,2-a]pyridin-5-yl]-1,2,4-oxadiazole-5-carboxylate
CID 91596822
1-[5-(cyclopropanecarbonyl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]-3-ethylurea
CID 68901891
1-ethyl-3-[5-(1-methylpyrazol-4-yl)-7-pyridin-3-ylimidazo[1,2-c]pyrimidin-2-yl]urea
CID 68901370
1-[5-(2,3-dimethylimidazol-4-yl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-ethylurea
CID 68839047
1-ethyl-3-(5-pyridin-3-yl-2-pyridinyl)urea
CID 72712074
1-ethyl-3-[5-(2-methyl-1,3-thiazol-5-yl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea
CID 68835955
1-ethyl-3-(5-propanoyl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea
CID 68835563
1-ethyl-3-[5-(methylsulfanylmethyl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea
CID 68838129
1-ethyl-3-[7-pyridin-3-yl-5-(thiadiazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea
CID 68835902
ethane;1-ethyl-3-(7-methyl-5-pyridin-3-yl-1,3-benzothiazol-2-yl)urea
CID 143598440

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[5-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea?
The IUPAC name of 1-ethyl-3-[5-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea (CID 45484763) is 1-ethyl-3-[5-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea.
What is the SMILES notation for 1-ethyl-3-[5-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea?
The canonical SMILES for 1-ethyl-3-[5-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea is CCNC(=O)Nc1cn2c(-c3nc(C)cc(C(F)(F)F)n3)cc(-c3cccnc3)cc2n1.
What is the InChIKey of 1-ethyl-3-[5-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea?
The InChIKey is JUEGEQYABKTKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N7O/c1-3-26-20(32)30-17-11-31-15(19-27-12(2)7-16(28-19)21(22,23)24)8-14(9-18(31)29-17)13-5-4-6-25-10-13/h4-11H,3H2,1-2H3,(H2,26,30,32).
What are the key properties of 1-ethyl-3-[5-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea?
1-ethyl-3-[5-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea has a molecular weight of 441.42 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[5-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea is sourced from PubChem (CID 45484763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).