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

C23H26N4O3 — CID 136681263

IUPAC7-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-pyridin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCCOCc1cc(CN2CCc3c(nc(-c4ccncc4)[nH]c3=O)C2)ccc1OC
InChIInChI=1S/C23H26N4O3/c1-3-30-15-18-12-16(4-5-21(18)29-2)13-27-11-8-19-20(14-27)25-22(26-23(19)28)17-6-9-24-10-7-17/h4-7,9-10,12H,3,8,11,13-15H2,1-2H3,(H,25,26,28)
InChIKeyQWTKEIHHQIRDOU-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.94
Rot. Bonds7

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

7-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-pyridin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136681263) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 7-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-pyridin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-pyridin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID136681263
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name7-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-pyridin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCCOCc1cc(CN2CCc3c(nc(-c4ccncc4)[nH]c3=O)C2)ccc1OC
InChIInChI=1S/C23H26N4O3/c1-3-30-15-18-12-16(4-5-21(18)29-2)13-27-11-8-19-20(14-27)25-22(26-23(19)28)17-6-9-24-10-7-17/h4-7,9-10,12H,3,8,11,13-15H2,1-2H3,(H,25,26,28)
InChIKeyQWTKEIHHQIRDOU-UHFFFAOYSA-N
XLogP2.94
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-pyridin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

6-[[3-(hydroxymethyl)-4-methoxyphenyl]methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136707161
6-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-pyridin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136707329
7-[(3,4-dimethoxyphenyl)methyl]-2-phenyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865105
6-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135918951
7-[(3,4-diethoxyphenyl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865008
7-[(2-fluoro-5-methoxyphenyl)methyl]-2-pyridin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135864568
2-[4-(trifluoromethyl)phenyl]-7-[(3,4,5-trimethoxyphenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135864958
2-pyridin-4-yl-7-[(4-pyrrolidin-1-ylphenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136681205
6-[(3,4-dihydroxy-5-methoxyphenyl)methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135918331
7-[(3,4-dihydroxy-5-methoxyphenyl)methyl]-2-(4-methylphenyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865051
7-[(2,5-dimethylphenyl)methyl]-2-pyridin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135863928
2-(4-methylphenyl)-7-[(2,4,5-trimethoxyphenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135863552

Frequently Asked Questions

What is the IUPAC name of 7-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-pyridin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-pyridin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136681263) is 7-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-pyridin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-pyridin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-pyridin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is CCOCc1cc(CN2CCc3c(nc(-c4ccncc4)[nH]c3=O)C2)ccc1OC.
What is the InChIKey of 7-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-pyridin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is QWTKEIHHQIRDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-3-30-15-18-12-16(4-5-21(18)29-2)13-27-11-8-19-20(14-27)25-22(26-23(19)28)17-6-9-24-10-7-17/h4-7,9-10,12H,3,8,11,13-15H2,1-2H3,(H,25,26,28).
What are the key properties of 7-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-pyridin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-pyridin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 406.49 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-pyridin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136681263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).