1-(2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]urea

C20H14F3N5O — CID 50847939

IUPAC1-(2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1cccc(C(F)(F)F)c1)Nc1c(-c2ccncc2)nc2ccccn12
InChIInChI=1S/C20H14F3N5O/c21-20(22,23)14-4-3-5-15(12-14)25-19(29)27-18-17(13-7-9-24-10-8-13)26-16-6-1-2-11-28(16)18/h1-12H,(H2,25,27,29)
InChIKeyAASQKGIAOYGBRH-UHFFFAOYSA-N
MW397.36 g/mol
LogP5.06
Rot. Bonds3

About 1-(2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]urea

1-(2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 50847939) has the molecular formula C20H14F3N5O and a molecular weight of 397.36 g/mol. Its IUPAC name is 1-(2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID50847939
Molecular FormulaC20H14F3N5O
Molecular Weight397.36 g/mol
Exact Mass397.12
IUPAC Name1-(2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1cccc(C(F)(F)F)c1)Nc1c(-c2ccncc2)nc2ccccn12
InChIInChI=1S/C20H14F3N5O/c21-20(22,23)14-4-3-5-15(12-14)25-19(29)27-18-17(13-7-9-24-10-8-13)26-16-6-1-2-11-28(16)18/h1-12H,(H2,25,27,29)
InChIKeyAASQKGIAOYGBRH-UHFFFAOYSA-N
XLogP5.06
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.36
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]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

ethyl 3-[(2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]benzoate
CID 50847842
1-[2-(3,5-dimethylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 42694876
ethyl 4-[(2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]benzoate
CID 50847843
1-(3,4-dimethylphenyl)-3-(2-phenylimidazo[1,2-a]pyridin-3-yl)urea
CID 50847541
4-fluoro-N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzamide
CID 42694194
3,5-dichloro-N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzamide
CID 42694201
N-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-(trifluoromethyl)benzamide
CID 42693739
1-(4-methylphenyl)-3-(2-phenylimidazo[1,2-a]pyridin-3-yl)urea
CID 4825752
3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 53036597
N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]cyclopentanecarboxamide
CID 42694207
2-(4-fluorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]acetamide
CID 42694212
N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]cyclohexanecarboxamide
CID 42694204

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]urea (CID 50847939) is 1-(2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]urea is O=C(Nc1cccc(C(F)(F)F)c1)Nc1c(-c2ccncc2)nc2ccccn12.
What is the InChIKey of 1-(2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is AASQKGIAOYGBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N5O/c21-20(22,23)14-4-3-5-15(12-14)25-19(29)27-18-17(13-7-9-24-10-8-13)26-16-6-1-2-11-28(16)18/h1-12H,(H2,25,27,29).
What are the key properties of 1-(2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]urea?
1-(2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 397.36 g/mol, XLogP of 5.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 50847939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).