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

C23H23N5O2 — CID 43811954

IUPAC1-[3-[(4-methoxyphenyl)methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]-3-phenylurea
SMILESCOc1ccc(Cn2c(C)nc3cc(NC(=O)Nc4ccccc4)c(C)nc32)cc1
InChIInChI=1S/C23H23N5O2/c1-15-20(27-23(29)26-18-7-5-4-6-8-18)13-21-22(24-15)28(16(2)25-21)14-17-9-11-19(30-3)12-10-17/h4-13H,14H2,1-3H3,(H2,26,27,29)
InChIKeyJDXLXDQKNWKCDO-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.75
Rot. Bonds5

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

1-[3-[(4-methoxyphenyl)methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]-3-phenylurea (PubChem CID 43811954) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 1-[3-[(4-methoxyphenyl)methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[3-[(4-methoxyphenyl)methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]-3-phenylurea
PubChem CID43811954
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name1-[3-[(4-methoxyphenyl)methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]-3-phenylurea
SMILESCOc1ccc(Cn2c(C)nc3cc(NC(=O)Nc4ccccc4)c(C)nc32)cc1
InChIInChI=1S/C23H23N5O2/c1-15-20(27-23(29)26-18-7-5-4-6-8-18)13-21-22(24-15)28(16(2)25-21)14-17-9-11-19(30-3)12-10-17/h4-13H,14H2,1-3H3,(H2,26,27,29)
InChIKeyJDXLXDQKNWKCDO-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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-methoxyphenyl)methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]-3-phenylurea?
The IUPAC name of 1-[3-[(4-methoxyphenyl)methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]-3-phenylurea (CID 43811954) is 1-[3-[(4-methoxyphenyl)methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]-3-phenylurea.
What is the SMILES notation for 1-[3-[(4-methoxyphenyl)methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]-3-phenylurea?
The canonical SMILES for 1-[3-[(4-methoxyphenyl)methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]-3-phenylurea is COc1ccc(Cn2c(C)nc3cc(NC(=O)Nc4ccccc4)c(C)nc32)cc1.
What is the InChIKey of 1-[3-[(4-methoxyphenyl)methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]-3-phenylurea?
The InChIKey is JDXLXDQKNWKCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-15-20(27-23(29)26-18-7-5-4-6-8-18)13-21-22(24-15)28(16(2)25-21)14-17-9-11-19(30-3)12-10-17/h4-13H,14H2,1-3H3,(H2,26,27,29).
What are the key properties of 1-[3-[(4-methoxyphenyl)methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]-3-phenylurea?
1-[3-[(4-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-[(4-methoxyphenyl)methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]-3-phenylurea is sourced from PubChem (CID 43811954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).