1-(2,4-difluorophenyl)-3-[2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea

C21H16F3N5O — CID 53021836

IUPAC1-(2,4-difluorophenyl)-3-[2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea
SMILESO=C(NCCn1c(-c2ccc(F)cc2)nc2cccnc21)Nc1ccc(F)cc1F
InChIInChI=1S/C21H16F3N5O/c22-14-5-3-13(4-6-14)19-27-18-2-1-9-25-20(18)29(19)11-10-26-21(30)28-17-8-7-15(23)12-16(17)24/h1-9,12H,10-11H2,(H2,26,28,30)
InChIKeyRUTAOTHUGSWTSU-UHFFFAOYSA-N
MW411.39 g/mol
LogP4.34
Rot. Bonds5

About 1-(2,4-difluorophenyl)-3-[2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea

1-(2,4-difluorophenyl)-3-[2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea (PubChem CID 53021836) has the molecular formula C21H16F3N5O and a molecular weight of 411.39 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea
PubChem CID53021836
Molecular FormulaC21H16F3N5O
Molecular Weight411.39 g/mol
Exact Mass411.13
IUPAC Name1-(2,4-difluorophenyl)-3-[2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea
SMILESO=C(NCCn1c(-c2ccc(F)cc2)nc2cccnc21)Nc1ccc(F)cc1F
InChIInChI=1S/C21H16F3N5O/c22-14-5-3-13(4-6-14)19-27-18-2-1-9-25-20(18)29(19)11-10-26-21(30)28-17-8-7-15(23)12-16(17)24/h1-9,12H,10-11H2,(H2,26,28,30)
InChIKeyRUTAOTHUGSWTSU-UHFFFAOYSA-N
XLogP4.34
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.39
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethylphenyl)-3-[2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea
CID 53021811
1-(2-chlorophenyl)-3-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea
CID 53021844
1-(2-chlorophenyl)-3-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]urea
CID 53021890
1-(2-methoxyphenyl)-3-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]urea
CID 53021888
1-(2,4-difluorophenyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
CID 46287063
N-[2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-3-methoxybenzamide
CID 53019777
2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethanamine
CID 53007688
2-(3-fluorophenyl)-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]acetamide
CID 53020252
1-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-3-[(4-methylphenyl)methyl]urea
CID 53019858
1-(3-chlorophenyl)-3-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]urea
CID 53021921
1-(2-fluorophenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea
CID 46287017
1-(2-fluorophenyl)-3-[2-(2-phenylbenzimidazol-1-yl)ethyl]urea
CID 46287172

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea (CID 53021836) is 1-(2,4-difluorophenyl)-3-[2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea is O=C(NCCn1c(-c2ccc(F)cc2)nc2cccnc21)Nc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea?
The InChIKey is RUTAOTHUGSWTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N5O/c22-14-5-3-13(4-6-14)19-27-18-2-1-9-25-20(18)29(19)11-10-26-21(30)28-17-8-7-15(23)12-16(17)24/h1-9,12H,10-11H2,(H2,26,28,30).
What are the key properties of 1-(2,4-difluorophenyl)-3-[2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea?
1-(2,4-difluorophenyl)-3-[2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea has a molecular weight of 411.39 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-[2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea is sourced from PubChem (CID 53021836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).