8-(4-chlorophenyl)-3-(1-hydroxypropan-2-yl)-6-pyridin-3-ylpyrido[3,4-d]pyrimidin-4-one

C21H17ClN4O2 — CID 156891887

IUPAC8-(4-chlorophenyl)-3-(1-hydroxypropan-2-yl)-6-pyridin-3-ylpyrido[3,4-d]pyrimidin-4-one
SMILESCC(CO)n1cnc2c(-c3ccc(Cl)cc3)nc(-c3cccnc3)cc2c1=O
InChIInChI=1S/C21H17ClN4O2/c1-13(11-27)26-12-24-20-17(21(26)28)9-18(15-3-2-8-23-10-15)25-19(20)14-4-6-16(22)7-5-14/h2-10,12-13,27H,11H2,1H3
InChIKeyVVKUEXWIFNDAMY-UHFFFAOYSA-N
MW392.85 g/mol
LogP3.73
Rot. Bonds4

About 8-(4-chlorophenyl)-3-(1-hydroxypropan-2-yl)-6-pyridin-3-ylpyrido[3,4-d]pyrimidin-4-one

8-(4-chlorophenyl)-3-(1-hydroxypropan-2-yl)-6-pyridin-3-ylpyrido[3,4-d]pyrimidin-4-one (PubChem CID 156891887) has the molecular formula C21H17ClN4O2 and a molecular weight of 392.85 g/mol. Its IUPAC name is 8-(4-chlorophenyl)-3-(1-hydroxypropan-2-yl)-6-pyridin-3-ylpyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name8-(4-chlorophenyl)-3-(1-hydroxypropan-2-yl)-6-pyridin-3-ylpyrido[3,4-d]pyrimidin-4-one
PubChem CID156891887
Molecular FormulaC21H17ClN4O2
Molecular Weight392.85 g/mol
Exact Mass392.10
IUPAC Name8-(4-chlorophenyl)-3-(1-hydroxypropan-2-yl)-6-pyridin-3-ylpyrido[3,4-d]pyrimidin-4-one
SMILESCC(CO)n1cnc2c(-c3ccc(Cl)cc3)nc(-c3cccnc3)cc2c1=O
InChIInChI=1S/C21H17ClN4O2/c1-13(11-27)26-12-24-20-17(21(26)28)9-18(15-3-2-8-23-10-15)25-19(20)14-4-6-16(22)7-5-14/h2-10,12-13,27H,11H2,1H3
InChIKeyVVKUEXWIFNDAMY-UHFFFAOYSA-N
XLogP3.73
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.85
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-(4-chlorophenyl)-3-(1-hydroxypropan-2-yl)-6-pyridin-3-ylpyrido[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

N-[2-[6-(4-chlorophenyl)-4-oxo-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-3-yl]propyl]acetamide
CID 156891918
3-[(2S)-1-hydroxypropan-2-yl]-6-[4-(trifluoromethyl)phenyl]-8-[5-(trifluoromethyl)-3-pyridinyl]pyrido[3,4-d]pyrimidin-4-one
CID 170219524
3-(1-aminopropan-2-yl)-6-(4-morpholin-4-ylphenyl)-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-4-one
CID 156891932
3-[1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-8-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidin-4-one
CID 156891923
5-(3-ethyl-4-oxo-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-6-yl)pyridine-2-carboxylic acid
CID 170220230
8-pyridin-3-yl-6-[6-(trichloromethyl)-3-pyridinyl]-3-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrido[3,4-d]pyrimidin-4-one
CID 166514518
3-[(2S)-1-hydroxypropan-2-yl]-6-[5-(trifluoromethyl)-2-pyridinyl]-8-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrido[3,4-d]pyrimidin-4-one
CID 169054284
6-(cyclohexen-1-yl)-3-ethyl-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-4-one;methanol
CID 156743150
3-[(3S,4R)-4-hydroxyoxolan-3-yl]-6-(5-methyl-2-pyridinyl)-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-4-one
CID 170215027
4-chloro-2-(4-propan-2-yloxyphenyl)-6-pyridin-3-ylpyridine
CID 90118273
3-(3-hydroxycyclopentyl)-8-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidin-4-one
CID 166803697
6-(4-chlorophenyl)-3-(3-hydroxyphenyl)-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-4-one
CID 156891920

Frequently Asked Questions

What is the IUPAC name of 8-(4-chlorophenyl)-3-(1-hydroxypropan-2-yl)-6-pyridin-3-ylpyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 8-(4-chlorophenyl)-3-(1-hydroxypropan-2-yl)-6-pyridin-3-ylpyrido[3,4-d]pyrimidin-4-one (CID 156891887) is 8-(4-chlorophenyl)-3-(1-hydroxypropan-2-yl)-6-pyridin-3-ylpyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 8-(4-chlorophenyl)-3-(1-hydroxypropan-2-yl)-6-pyridin-3-ylpyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 8-(4-chlorophenyl)-3-(1-hydroxypropan-2-yl)-6-pyridin-3-ylpyrido[3,4-d]pyrimidin-4-one is CC(CO)n1cnc2c(-c3ccc(Cl)cc3)nc(-c3cccnc3)cc2c1=O.
What is the InChIKey of 8-(4-chlorophenyl)-3-(1-hydroxypropan-2-yl)-6-pyridin-3-ylpyrido[3,4-d]pyrimidin-4-one?
The InChIKey is VVKUEXWIFNDAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O2/c1-13(11-27)26-12-24-20-17(21(26)28)9-18(15-3-2-8-23-10-15)25-19(20)14-4-6-16(22)7-5-14/h2-10,12-13,27H,11H2,1H3.
What are the key properties of 8-(4-chlorophenyl)-3-(1-hydroxypropan-2-yl)-6-pyridin-3-ylpyrido[3,4-d]pyrimidin-4-one?
8-(4-chlorophenyl)-3-(1-hydroxypropan-2-yl)-6-pyridin-3-ylpyrido[3,4-d]pyrimidin-4-one has a molecular weight of 392.85 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chlorophenyl)-3-(1-hydroxypropan-2-yl)-6-pyridin-3-ylpyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 156891887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).