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

C23H22FN5O — CID 53021811

IUPAC1-(3,4-dimethylphenyl)-3-[2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea
SMILESCc1ccc(NC(=O)NCCn2c(-c3ccc(F)cc3)nc3cccnc32)cc1C
InChIInChI=1S/C23H22FN5O/c1-15-5-10-19(14-16(15)2)27-23(30)26-12-13-29-21(17-6-8-18(24)9-7-17)28-20-4-3-11-25-22(20)29/h3-11,14H,12-13H2,1-2H3,(H2,26,27,30)
InChIKeyNPAVAHURMVRTHP-UHFFFAOYSA-N
MW403.46 g/mol
LogP4.68
Rot. Bonds5

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

1-(3,4-dimethylphenyl)-3-[2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea (PubChem CID 53021811) has the molecular formula C23H22FN5O and a molecular weight of 403.46 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-[2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-[2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea
PubChem CID53021811
Molecular FormulaC23H22FN5O
Molecular Weight403.46 g/mol
Exact Mass403.18
IUPAC Name1-(3,4-dimethylphenyl)-3-[2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea
SMILESCc1ccc(NC(=O)NCCn2c(-c3ccc(F)cc3)nc3cccnc32)cc1C
InChIInChI=1S/C23H22FN5O/c1-15-5-10-19(14-16(15)2)27-23(30)26-12-13-29-21(17-6-8-18(24)9-7-17)28-20-4-3-11-25-22(20)29/h3-11,14H,12-13H2,1-2H3,(H2,26,27,30)
InChIKeyNPAVAHURMVRTHP-UHFFFAOYSA-N
XLogP4.68
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-difluorophenyl)-3-[2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea
CID 53021836
1-(4-ethoxyphenyl)-3-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]urea
CID 53021931
1-(3-chlorophenyl)-3-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]urea
CID 53021921
1-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 53021905
1-(2-methoxyphenyl)-3-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]urea
CID 53021888
1-(2-chlorophenyl)-3-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea
CID 53021844
1-(3,5-dimethoxyphenyl)-3-[3-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)propyl]urea
CID 46331611
N-[2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-3-methoxybenzamide
CID 53019777
1-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-3-[(4-methylphenyl)methyl]urea
CID 53019858
1-(4-chlorophenyl)-3-[3-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)propyl]urea
CID 50788153
1-(2-chlorophenyl)-3-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]urea
CID 53021890
1-[3-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)propyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 50788173

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-[2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-[2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea (CID 53021811) is 1-(3,4-dimethylphenyl)-3-[2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-[2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-[2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea is Cc1ccc(NC(=O)NCCn2c(-c3ccc(F)cc3)nc3cccnc32)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-[2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea?
The InChIKey is NPAVAHURMVRTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O/c1-15-5-10-19(14-16(15)2)27-23(30)26-12-13-29-21(17-6-8-18(24)9-7-17)28-20-4-3-11-25-22(20)29/h3-11,14H,12-13H2,1-2H3,(H2,26,27,30).
What are the key properties of 1-(3,4-dimethylphenyl)-3-[2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea?
1-(3,4-dimethylphenyl)-3-[2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea has a molecular weight of 403.46 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-[2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea is sourced from PubChem (CID 53021811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).