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

C23H23N5O2 — CID 1463467

IUPAC1-[3-[(3-methoxyphenyl)methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]-3-phenylurea
SMILESCOc1cccc(Cn2c(C)nc3cc(NC(=O)Nc4ccccc4)c(C)nc32)c1
InChIInChI=1S/C23H23N5O2/c1-15-20(27-23(29)26-18-9-5-4-6-10-18)13-21-22(24-15)28(16(2)25-21)14-17-8-7-11-19(12-17)30-3/h4-13H,14H2,1-3H3,(H2,26,27,29)
InChIKeyVGEFAHHJNIVNDX-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.75
Rot. Bonds5

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

1-[3-[(3-methoxyphenyl)methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]-3-phenylurea (PubChem CID 1463467) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 1-[3-[(3-methoxyphenyl)methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[3-[(3-methoxyphenyl)methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]-3-phenylurea
PubChem CID1463467
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name1-[3-[(3-methoxyphenyl)methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]-3-phenylurea
SMILESCOc1cccc(Cn2c(C)nc3cc(NC(=O)Nc4ccccc4)c(C)nc32)c1
InChIInChI=1S/C23H23N5O2/c1-15-20(27-23(29)26-18-9-5-4-6-10-18)13-21-22(24-15)28(16(2)25-21)14-17-8-7-11-19(12-17)30-3/h4-13H,14H2,1-3H3,(H2,26,27,29)
InChIKeyVGEFAHHJNIVNDX-UHFFFAOYSA-N
XLogP4.75
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

Astemizole
CID 2247
Metodesnitazene
CID 26412
4-[2-Methyl-3-(2-phenoxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135335939
2-(2,6-Difluorophenoxy)-N-(2-fluorophenyl)-9-isopropyl-9H-purin-8-amine
CID 9543517
1-(4-methoxybenzyl)-2-(4-methoxyphenyl)-1H-benzo(d)imidazole
CID 746182
9-butyl-8-(4-methoxybenzyl)-9H-purin-6-amine
CID 5289227
Pyrimido(1,2-a)benzimidazole, 1,4-dihydro-4-(4-methoxyphenyl)-2-methyl-
CID 3074967
N'-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-N,N-dimethylethane-1,2-diamine
CID 943137
2-Pyrimidinamine, N-(2-methoxyphenyl)-4-(2-phenyl-1H-imidazol-1-yl)-
CID 5329418
2,4-Disubstituted Pyrimidine 2f
CID 5329419
2,4-Disubstituted Pyrimidine 2g
CID 5329420
1-{9-isopropyl-6-[(4-methoxyphenyl)amino]-9H-purin-2-yl}-3-methylpent-1-yn-3-ol
CID 6538966

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-methoxyphenyl)methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]-3-phenylurea?
The IUPAC name of 1-[3-[(3-methoxyphenyl)methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]-3-phenylurea (CID 1463467) is 1-[3-[(3-methoxyphenyl)methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]-3-phenylurea.
What is the SMILES notation for 1-[3-[(3-methoxyphenyl)methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]-3-phenylurea?
The canonical SMILES for 1-[3-[(3-methoxyphenyl)methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]-3-phenylurea is COc1cccc(Cn2c(C)nc3cc(NC(=O)Nc4ccccc4)c(C)nc32)c1.
What is the InChIKey of 1-[3-[(3-methoxyphenyl)methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]-3-phenylurea?
The InChIKey is VGEFAHHJNIVNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-15-20(27-23(29)26-18-9-5-4-6-10-18)13-21-22(24-15)28(16(2)25-21)14-17-8-7-11-19(12-17)30-3/h4-13H,14H2,1-3H3,(H2,26,27,29).
What are the key properties of 1-[3-[(3-methoxyphenyl)methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]-3-phenylurea?
1-[3-[(3-methoxyphenyl)methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]-3-phenylurea has a molecular weight of 401.47 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-methoxyphenyl)methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]-3-phenylurea is sourced from PubChem (CID 1463467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).