1-ethyl-3-[3-[[4-(4-methoxyphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]urea

C25H27N5O2 — CID 1437848

IUPAC1-ethyl-3-[3-[[4-(4-methoxyphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]urea
SMILESCCNC(=O)Nc1cc2nc(C)n(Cc3ccc(-c4ccc(OC)cc4)cc3)c2nc1C
InChIInChI=1S/C25H27N5O2/c1-5-26-25(31)29-22-14-23-24(27-16(22)2)30(17(3)28-23)15-18-6-8-19(9-7-18)20-10-12-21(32-4)13-11-20/h6-14H,5,15H2,1-4H3,(H2,26,29,31)
InChIKeyISFGTJMXQCQOHJ-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.91
Rot. Bonds6

About 1-ethyl-3-[3-[[4-(4-methoxyphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]urea

1-ethyl-3-[3-[[4-(4-methoxyphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]urea (PubChem CID 1437848) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is 1-ethyl-3-[3-[[4-(4-methoxyphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[3-[[4-(4-methoxyphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]urea
PubChem CID1437848
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC Name1-ethyl-3-[3-[[4-(4-methoxyphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]urea
SMILESCCNC(=O)Nc1cc2nc(C)n(Cc3ccc(-c4ccc(OC)cc4)cc3)c2nc1C
InChIInChI=1S/C25H27N5O2/c1-5-26-25(31)29-22-14-23-24(27-16(22)2)30(17(3)28-23)15-18-6-8-19(9-7-18)20-10-12-21(32-4)13-11-20/h6-14H,5,15H2,1-4H3,(H2,26,29,31)
InChIKeyISFGTJMXQCQOHJ-UHFFFAOYSA-N
XLogP4.91
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-3-[3-[[4-(4-methoxyphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]urea with MolForge

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Related Compounds

1-ethyl-3-[3-[[4-(2-methoxyphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]urea
CID 1437823
1-[3-[[4-(3-acetylphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]-3-ethylurea
CID 1437865
1-[2-butyl-3-[(4-methoxyphenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]-3-ethylurea
CID 3212345
3-chloro-N-[3-[(4-methoxyphenyl)methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]benzamide
CID 1434264
1-[2-butyl-3-[(4-methoxyphenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]-3-(3-chlorophenyl)urea
CID 3212343
1-(3-benzyl-2,5-dimethylimidazo[4,5-b]pyridin-6-yl)-3-(3-chlorophenyl)urea
CID 1437811
N-[3-[[4-(2-acetylphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]-2,2-dimethylpropanamide
CID 1437852
1-[4-[4-[(6-amino-2,5-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]ethanone
CID 1437874
N-[3-[[4-(4-methoxyphenyl)phenyl]methyl]-2-methyl-4-oxoquinazolin-6-yl]-2,2-dimethylpropanamide
CID 1434216
methyl 1-[(4-methoxyphenyl)methyl]-2-methylbenzimidazole-5-carboxylate
CID 134360348
1-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-3-phenylurea
CID 3205884
1-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-3-(4-chlorophenyl)urea
CID 3205887

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[3-[[4-(4-methoxyphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]urea?
The IUPAC name of 1-ethyl-3-[3-[[4-(4-methoxyphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]urea (CID 1437848) is 1-ethyl-3-[3-[[4-(4-methoxyphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]urea.
What is the SMILES notation for 1-ethyl-3-[3-[[4-(4-methoxyphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]urea?
The canonical SMILES for 1-ethyl-3-[3-[[4-(4-methoxyphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]urea is CCNC(=O)Nc1cc2nc(C)n(Cc3ccc(-c4ccc(OC)cc4)cc3)c2nc1C.
What is the InChIKey of 1-ethyl-3-[3-[[4-(4-methoxyphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]urea?
The InChIKey is ISFGTJMXQCQOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2/c1-5-26-25(31)29-22-14-23-24(27-16(22)2)30(17(3)28-23)15-18-6-8-19(9-7-18)20-10-12-21(32-4)13-11-20/h6-14H,5,15H2,1-4H3,(H2,26,29,31).
What are the key properties of 1-ethyl-3-[3-[[4-(4-methoxyphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]urea?
1-ethyl-3-[3-[[4-(4-methoxyphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]urea has a molecular weight of 429.52 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[3-[[4-(4-methoxyphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]urea is sourced from PubChem (CID 1437848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).