1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridin-2-one

C17H20N4O3 — CID 95807348

IUPAC1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridin-2-one
SMILESCOc1ccnc(Cn2c(=O)n(C(C)C)c3ncccc32)c1OC
InChIInChI=1S/C17H20N4O3/c1-11(2)21-16-13(6-5-8-19-16)20(17(21)22)10-12-15(24-4)14(23-3)7-9-18-12/h5-9,11H,10H2,1-4H3
InChIKeyWCFJCBLQHROFQR-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.24
Rot. Bonds5

About 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridin-2-one

1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridin-2-one (PubChem CID 95807348) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridin-2-one
PubChem CID95807348
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridin-2-one
SMILESCOc1ccnc(Cn2c(=O)n(C(C)C)c3ncccc32)c1OC
InChIInChI=1S/C17H20N4O3/c1-11(2)21-16-13(6-5-8-19-16)20(17(21)22)10-12-15(24-4)14(23-3)7-9-18-12/h5-9,11H,10H2,1-4H3
InChIKeyWCFJCBLQHROFQR-UHFFFAOYSA-N
XLogP2.24
TPSA71.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridin-2-one (CID 95807348) is 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridin-2-one is COc1ccnc(Cn2c(=O)n(C(C)C)c3ncccc32)c1OC.
What is the InChIKey of 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridin-2-one?
The InChIKey is WCFJCBLQHROFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-11(2)21-16-13(6-5-8-19-16)20(17(21)22)10-12-15(24-4)14(23-3)7-9-18-12/h5-9,11H,10H2,1-4H3.
What are the key properties of 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridin-2-one?
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridin-2-one has a molecular weight of 328.37 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 95807348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).