3-[(4-methoxyphenyl)methyl]-1H-imidazo[4,5-b]pyridin-2-one

C14H13N3O2 — CID 134794004

IUPAC3-[(4-methoxyphenyl)methyl]-1H-imidazo[4,5-b]pyridin-2-one
SMILESCOc1ccc(Cn2c(=O)[nH]c3cccnc32)cc1
InChIInChI=1S/C14H13N3O2/c1-19-11-6-4-10(5-7-11)9-17-13-12(16-14(17)18)3-2-8-15-13/h2-8H,9H2,1H3,(H,16,18)
InChIKeyLUQPWNBSIAXBQZ-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.78
Rot. Bonds3

About 3-[(4-methoxyphenyl)methyl]-1H-imidazo[4,5-b]pyridin-2-one

3-[(4-methoxyphenyl)methyl]-1H-imidazo[4,5-b]pyridin-2-one (PubChem CID 134794004) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methyl]-1H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methyl]-1H-imidazo[4,5-b]pyridin-2-one
PubChem CID134794004
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name3-[(4-methoxyphenyl)methyl]-1H-imidazo[4,5-b]pyridin-2-one
SMILESCOc1ccc(Cn2c(=O)[nH]c3cccnc32)cc1
InChIInChI=1S/C14H13N3O2/c1-19-11-6-4-10(5-7-11)9-17-13-12(16-14(17)18)3-2-8-15-13/h2-8H,9H2,1H3,(H,16,18)
InChIKeyLUQPWNBSIAXBQZ-UHFFFAOYSA-N
XLogP1.78
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methyl]-1H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 3-[(4-methoxyphenyl)methyl]-1H-imidazo[4,5-b]pyridin-2-one (CID 134794004) is 3-[(4-methoxyphenyl)methyl]-1H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-[(4-methoxyphenyl)methyl]-1H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-[(4-methoxyphenyl)methyl]-1H-imidazo[4,5-b]pyridin-2-one is COc1ccc(Cn2c(=O)[nH]c3cccnc32)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methyl]-1H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is LUQPWNBSIAXBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-19-11-6-4-10(5-7-11)9-17-13-12(16-14(17)18)3-2-8-15-13/h2-8H,9H2,1H3,(H,16,18).
What are the key properties of 3-[(4-methoxyphenyl)methyl]-1H-imidazo[4,5-b]pyridin-2-one?
3-[(4-methoxyphenyl)methyl]-1H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 255.28 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methyl]-1H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 134794004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).