[4-(4-methoxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyridin-2-ylmethanone

C21H20N4O2 — CID 134792906

IUPAC[4-(4-methoxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyridin-2-ylmethanone
SMILESCOc1ccc(-c2nc(C)nc3c2CN(C(=O)c2ccccn2)CC3)cc1
InChIInChI=1S/C21H20N4O2/c1-14-23-18-10-12-25(21(26)19-5-3-4-11-22-19)13-17(18)20(24-14)15-6-8-16(27-2)9-7-15/h3-9,11H,10,12-13H2,1-2H3
InChIKeyAZFQCWHGKHKYHK-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.05
Rot. Bonds3

About [4-(4-methoxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyridin-2-ylmethanone

[4-(4-methoxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyridin-2-ylmethanone (PubChem CID 134792906) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is [4-(4-methoxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[4-(4-methoxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyridin-2-ylmethanone
PubChem CID134792906
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name[4-(4-methoxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyridin-2-ylmethanone
SMILESCOc1ccc(-c2nc(C)nc3c2CN(C(=O)c2ccccn2)CC3)cc1
InChIInChI=1S/C21H20N4O2/c1-14-23-18-10-12-25(21(26)19-5-3-4-11-22-19)13-17(18)20(24-14)15-6-8-16(27-2)9-7-15/h3-9,11H,10,12-13H2,1-2H3
InChIKeyAZFQCWHGKHKYHK-UHFFFAOYSA-N
XLogP3.05
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(4-methoxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyridin-2-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyridin-2-ylmethanone?
The IUPAC name of [4-(4-methoxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyridin-2-ylmethanone (CID 134792906) is [4-(4-methoxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [4-(4-methoxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [4-(4-methoxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyridin-2-ylmethanone is COc1ccc(-c2nc(C)nc3c2CN(C(=O)c2ccccn2)CC3)cc1.
What is the InChIKey of [4-(4-methoxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyridin-2-ylmethanone?
The InChIKey is AZFQCWHGKHKYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-14-23-18-10-12-25(21(26)19-5-3-4-11-22-19)13-17(18)20(24-14)15-6-8-16(27-2)9-7-15/h3-9,11H,10,12-13H2,1-2H3.
What are the key properties of [4-(4-methoxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyridin-2-ylmethanone?
[4-(4-methoxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyridin-2-ylmethanone has a molecular weight of 360.42 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 134792906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).