6-[(3-methylimidazol-4-yl)methyl]-2-pyridin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C17H18N6O — CID 136707333

IUPAC6-[(3-methylimidazol-4-yl)methyl]-2-pyridin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCn1cncc1CN1CCc2nc(-c3ccccn3)[nH]c(=O)c2C1
InChIInChI=1S/C17H18N6O/c1-22-11-18-8-12(22)9-23-7-5-14-13(10-23)17(24)21-16(20-14)15-4-2-3-6-19-15/h2-4,6,8,11H,5,7,9-10H2,1H3,(H,20,21,24)
InChIKeyKRWIWRPBXIVPNI-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.12
Rot. Bonds3

About 6-[(3-methylimidazol-4-yl)methyl]-2-pyridin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-[(3-methylimidazol-4-yl)methyl]-2-pyridin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 136707333) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is 6-[(3-methylimidazol-4-yl)methyl]-2-pyridin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(3-methylimidazol-4-yl)methyl]-2-pyridin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID136707333
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name6-[(3-methylimidazol-4-yl)methyl]-2-pyridin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCn1cncc1CN1CCc2nc(-c3ccccn3)[nH]c(=O)c2C1
InChIInChI=1S/C17H18N6O/c1-22-11-18-8-12(22)9-23-7-5-14-13(10-23)17(24)21-16(20-14)15-4-2-3-6-19-15/h2-4,6,8,11H,5,7,9-10H2,1H3,(H,20,21,24)
InChIKeyKRWIWRPBXIVPNI-UHFFFAOYSA-N
XLogP1.12
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-methylimidazol-4-yl)methyl]-2-pyridin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-[(3-methylimidazol-4-yl)methyl]-2-pyridin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 136707333) is 6-[(3-methylimidazol-4-yl)methyl]-2-pyridin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(3-methylimidazol-4-yl)methyl]-2-pyridin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[(3-methylimidazol-4-yl)methyl]-2-pyridin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Cn1cncc1CN1CCc2nc(-c3ccccn3)[nH]c(=O)c2C1.
What is the InChIKey of 6-[(3-methylimidazol-4-yl)methyl]-2-pyridin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is KRWIWRPBXIVPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c1-22-11-18-8-12(22)9-23-7-5-14-13(10-23)17(24)21-16(20-14)15-4-2-3-6-19-15/h2-4,6,8,11H,5,7,9-10H2,1H3,(H,20,21,24).
What are the key properties of 6-[(3-methylimidazol-4-yl)methyl]-2-pyridin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[(3-methylimidazol-4-yl)methyl]-2-pyridin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 322.37 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methylimidazol-4-yl)methyl]-2-pyridin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136707333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).