2-methoxy-8-(1-methylimidazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one

C12H11N5O2 — CID 136929805

IUPAC2-methoxy-8-(1-methylimidazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESCOc1nc2c(-c3cn(C)cn3)nccc2c(=O)[nH]1
InChIInChI=1S/C12H11N5O2/c1-17-5-8(14-6-17)10-9-7(3-4-13-10)11(18)16-12(15-9)19-2/h3-6H,1-2H3,(H,15,16,18)
InChIKeyNPLYCANGKCPUEH-UHFFFAOYSA-N
MW257.25 g/mol
LogP0.73
Rot. Bonds2

About 2-methoxy-8-(1-methylimidazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one

2-methoxy-8-(1-methylimidazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 136929805) has the molecular formula C12H11N5O2 and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-methoxy-8-(1-methylimidazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-methoxy-8-(1-methylimidazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID136929805
Molecular FormulaC12H11N5O2
Molecular Weight257.25 g/mol
Exact Mass257.09
IUPAC Name2-methoxy-8-(1-methylimidazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESCOc1nc2c(-c3cn(C)cn3)nccc2c(=O)[nH]1
InChIInChI=1S/C12H11N5O2/c1-17-5-8(14-6-17)10-9-7(3-4-13-10)11(18)16-12(15-9)19-2/h3-6H,1-2H3,(H,15,16,18)
InChIKeyNPLYCANGKCPUEH-UHFFFAOYSA-N
XLogP0.73
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-8-(1-methylimidazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-methoxy-8-(1-methylimidazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one (CID 136929805) is 2-methoxy-8-(1-methylimidazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-methoxy-8-(1-methylimidazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-methoxy-8-(1-methylimidazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one is COc1nc2c(-c3cn(C)cn3)nccc2c(=O)[nH]1.
What is the InChIKey of 2-methoxy-8-(1-methylimidazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is NPLYCANGKCPUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2/c1-17-5-8(14-6-17)10-9-7(3-4-13-10)11(18)16-12(15-9)19-2/h3-6H,1-2H3,(H,15,16,18).
What are the key properties of 2-methoxy-8-(1-methylimidazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one?
2-methoxy-8-(1-methylimidazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 257.25 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-8-(1-methylimidazol-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136929805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).