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

C25H27N5O2 — CID 1437823

IUPAC1-ethyl-3-[3-[[4-(2-methoxyphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]urea
SMILESCCNC(=O)Nc1cc2nc(C)n(Cc3ccc(-c4ccccc4OC)cc3)c2nc1C
InChIInChI=1S/C25H27N5O2/c1-5-26-25(31)29-21-14-22-24(27-16(21)2)30(17(3)28-22)15-18-10-12-19(13-11-18)20-8-6-7-9-23(20)32-4/h6-14H,5,15H2,1-4H3,(H2,26,29,31)
InChIKeyRTBNYGHZTALPMM-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.91
Rot. Bonds6

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

1-ethyl-3-[3-[[4-(2-methoxyphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]urea (PubChem CID 1437823) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is 1-ethyl-3-[3-[[4-(2-methoxyphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[3-[[4-(2-methoxyphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]urea
PubChem CID1437823
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC Name1-ethyl-3-[3-[[4-(2-methoxyphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]urea
SMILESCCNC(=O)Nc1cc2nc(C)n(Cc3ccc(-c4ccccc4OC)cc3)c2nc1C
InChIInChI=1S/C25H27N5O2/c1-5-26-25(31)29-21-14-22-24(27-16(21)2)30(17(3)28-22)15-18-10-12-19(13-11-18)20-8-6-7-9-23(20)32-4/h6-14H,5,15H2,1-4H3,(H2,26,29,31)
InChIKeyRTBNYGHZTALPMM-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-(2-methoxyphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]urea with MolForge

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Related Compounds

Astemizole
CID 2247
7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 3641059
4-[2-Methyl-3-(2-phenoxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135335939
1-(4-methoxyphenyl)-N-[(4-propan-2-ylphenyl)methyl]benzimidazol-5-amine
CID 3697969
2,4-Disubstituted Pyrimidine 2g
CID 5329420
6-(4-methoxyphenyl)-7-propyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538784
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 36
CID 6538786
2,6-Bis(4-methoxyphenyl)purine
CID 11493677
4-[2-methyl-3-[(2~{R})-2-phenoxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135335801
9-Butyl-8-(2,5-Dimethoxy-Benzyl)-2-Fluoro-9h-Purin-6-Ylamine
CID 448974
9-butyl-8-(4-methoxybenzyl)-9H-purin-6-amine
CID 5289227
9-Butyl-8-(3-Methoxybenzyl)-9h-Purin-6-Amine
CID 5289228

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[3-[[4-(2-methoxyphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]urea?
The IUPAC name of 1-ethyl-3-[3-[[4-(2-methoxyphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]urea (CID 1437823) is 1-ethyl-3-[3-[[4-(2-methoxyphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]urea.
What is the SMILES notation for 1-ethyl-3-[3-[[4-(2-methoxyphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]urea?
The canonical SMILES for 1-ethyl-3-[3-[[4-(2-methoxyphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]urea is CCNC(=O)Nc1cc2nc(C)n(Cc3ccc(-c4ccccc4OC)cc3)c2nc1C.
What is the InChIKey of 1-ethyl-3-[3-[[4-(2-methoxyphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]urea?
The InChIKey is RTBNYGHZTALPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2/c1-5-26-25(31)29-21-14-22-24(27-16(21)2)30(17(3)28-22)15-18-10-12-19(13-11-18)20-8-6-7-9-23(20)32-4/h6-14H,5,15H2,1-4H3,(H2,26,29,31).
What are the key properties of 1-ethyl-3-[3-[[4-(2-methoxyphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]urea?
1-ethyl-3-[3-[[4-(2-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-(2-methoxyphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]urea is sourced from PubChem (CID 1437823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).