1-[3-[6-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea

C21H15F4N5O — CID 59321002

IUPAC1-[3-[6-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)Nc1cccc(-n2cnc3cc(-c4ccc(F)cc4)cnc32)c1
InChIInChI=1S/C21H15F4N5O/c22-15-6-4-13(5-7-15)14-8-18-19(26-10-14)30(12-28-18)17-3-1-2-16(9-17)29-20(31)27-11-21(23,24)25/h1-10,12H,11H2,(H2,27,29,31)
InChIKeyGOGSIIFCXDYISG-UHFFFAOYSA-N
MW429.38 g/mol
LogP4.91
Rot. Bonds4

About 1-[3-[6-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea

1-[3-[6-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 59321002) has the molecular formula C21H15F4N5O and a molecular weight of 429.38 g/mol. Its IUPAC name is 1-[3-[6-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[3-[6-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID59321002
Molecular FormulaC21H15F4N5O
Molecular Weight429.38 g/mol
Exact Mass429.12
IUPAC Name1-[3-[6-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)Nc1cccc(-n2cnc3cc(-c4ccc(F)cc4)cnc32)c1
InChIInChI=1S/C21H15F4N5O/c22-15-6-4-13(5-7-15)14-8-18-19(26-10-14)30(12-28-18)17-3-1-2-16(9-17)29-20(31)27-11-21(23,24)25/h1-10,12H,11H2,(H2,27,29,31)
InChIKeyGOGSIIFCXDYISG-UHFFFAOYSA-N
XLogP4.91
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.38
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[3-[6-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)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-[3-[5-(4-fluorophenyl)benzimidazol-1-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;hydrochloride
CID 68595951
N-(pyridin-3-ylmethyl)-3-[1-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]benzimidazol-5-yl]benzamide
CID 57386158
1-(3-ethoxyphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 47332046
N-methyl-N-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]acetamide
CID 118788732
1-[3-[7-(1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 67980550
1-[3-[7-(2H-triazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 59320990
1-[2-fluoro-5-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 59321126
N,N-dimethyl-2-[4-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-b]pyridazin-7-yl]phenyl]propanamide
CID 57386929
1-(2-aminoethyl)-3-[3-[6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]urea
CID 59320954
1-[3-(7-methylimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 59321130
3-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]benzamide
CID 59320936
N-[3-(5-bromobenzimidazol-1-yl)phenyl]-4,4,4-trifluorobutanamide
CID 147075477

Frequently Asked Questions

What is the IUPAC name of 1-[3-[6-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[3-[6-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea (CID 59321002) is 1-[3-[6-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[3-[6-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[3-[6-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea is O=C(NCC(F)(F)F)Nc1cccc(-n2cnc3cc(-c4ccc(F)cc4)cnc32)c1.
What is the InChIKey of 1-[3-[6-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is GOGSIIFCXDYISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F4N5O/c22-15-6-4-13(5-7-15)14-8-18-19(26-10-14)30(12-28-18)17-3-1-2-16(9-17)29-20(31)27-11-21(23,24)25/h1-10,12H,11H2,(H2,27,29,31).
What are the key properties of 1-[3-[6-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
1-[3-[6-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 429.38 g/mol, XLogP of 4.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[6-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 59321002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).