6-(4-chlorophenyl)-3-(3-hydroxyphenyl)-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-4-one

C23H16ClN5O2 — CID 156891920

IUPAC6-(4-chlorophenyl)-3-(3-hydroxyphenyl)-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-4-one
SMILESCn1cc(-c2nc(-c3ccc(Cl)cc3)cc3c(=O)n(-c4cccc(O)c4)cnc23)cn1
InChIInChI=1S/C23H16ClN5O2/c1-28-12-15(11-26-28)21-22-19(10-20(27-21)14-5-7-16(24)8-6-14)23(31)29(13-25-22)17-3-2-4-18(30)9-17/h2-13,30H,1H3
InChIKeyPGAYLFZLTPYEHK-UHFFFAOYSA-N
MW429.87 g/mol
LogP4.21
Rot. Bonds3

About 6-(4-chlorophenyl)-3-(3-hydroxyphenyl)-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-4-one

6-(4-chlorophenyl)-3-(3-hydroxyphenyl)-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-4-one (PubChem CID 156891920) has the molecular formula C23H16ClN5O2 and a molecular weight of 429.87 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-3-(3-hydroxyphenyl)-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-3-(3-hydroxyphenyl)-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-4-one
PubChem CID156891920
Molecular FormulaC23H16ClN5O2
Molecular Weight429.87 g/mol
Exact Mass429.10
IUPAC Name6-(4-chlorophenyl)-3-(3-hydroxyphenyl)-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-4-one
SMILESCn1cc(-c2nc(-c3ccc(Cl)cc3)cc3c(=O)n(-c4cccc(O)c4)cnc23)cn1
InChIInChI=1S/C23H16ClN5O2/c1-28-12-15(11-26-28)21-22-19(10-20(27-21)14-5-7-16(24)8-6-14)23(31)29(13-25-22)17-3-2-4-18(30)9-17/h2-13,30H,1H3
InChIKeyPGAYLFZLTPYEHK-UHFFFAOYSA-N
XLogP4.21
TPSA85.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.87
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(4-chlorophenyl)-3-[(1S,3R)-3-hydroxycyclopentyl]-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-4-one
CID 156891926
3-(2-hydroxy-2-methylpropyl)-8-(1-methylpyrazol-4-yl)-6-(6-methyl-3-pyridinyl)pyrido[3,4-d]pyrimidin-4-one
CID 170214984
3-[(1S,2R)-2-hydroxycyclohexyl]-8-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidin-4-one
CID 156891904
8-(1-methylpyrazol-4-yl)-6-(6-methyl-3-pyridinyl)-3-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]pyrido[3,4-d]pyrimidin-4-one
CID 170215002
[2-methyl-3-[6-(4-methylphenyl)-8-(1-methylpyrazol-4-yl)-4-oxopyrido[3,4-d]pyrimidin-3-yl]butan-2-yl] hypoiodite
CID 170216779
5-(4-chlorophenyl)-3-(1-methylpyrazol-4-yl)pyrazine-2-carbonyl chloride
CID 163253537
5-(4-chlorophenyl)-1-methyl-7-(1-methylpyrazol-4-yl)imidazo[4,5-c]pyridin-4-one
CID 118426614
8-(4-chlorophenyl)-3-(1-hydroxypropan-2-yl)-6-pyridin-3-ylpyrido[3,4-d]pyrimidin-4-one
CID 156891887
6-chloro-3-[(3R,4R)-4-hydroxyoxolan-3-yl]-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-4-one
CID 169054287
2-(4-chlorophenyl)-5-(3-hydroxyphenyl)furo[3,2-c]pyridin-4-one
CID 90064959
3-[(3R,4R)-4-hydroxyoxolan-3-yl]-8-(1-methylpyrazol-4-yl)-6-(5-methyl-2-pyridinyl)pyrido[3,4-d]pyrimidin-4-one
CID 170215033
3-[(3R,4S)-4-hydroxyoxolan-3-yl]-8-(1-methylpyrazol-4-yl)-6-(2-methyl-1,3-thiazol-5-yl)pyrido[3,4-d]pyrimidin-4-one
CID 170215048

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-3-(3-hydroxyphenyl)-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 6-(4-chlorophenyl)-3-(3-hydroxyphenyl)-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-4-one (CID 156891920) is 6-(4-chlorophenyl)-3-(3-hydroxyphenyl)-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-(4-chlorophenyl)-3-(3-hydroxyphenyl)-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 6-(4-chlorophenyl)-3-(3-hydroxyphenyl)-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-4-one is Cn1cc(-c2nc(-c3ccc(Cl)cc3)cc3c(=O)n(-c4cccc(O)c4)cnc23)cn1.
What is the InChIKey of 6-(4-chlorophenyl)-3-(3-hydroxyphenyl)-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is PGAYLFZLTPYEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN5O2/c1-28-12-15(11-26-28)21-22-19(10-20(27-21)14-5-7-16(24)8-6-14)23(31)29(13-25-22)17-3-2-4-18(30)9-17/h2-13,30H,1H3.
What are the key properties of 6-(4-chlorophenyl)-3-(3-hydroxyphenyl)-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-4-one?
6-(4-chlorophenyl)-3-(3-hydroxyphenyl)-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 429.87 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-3-(3-hydroxyphenyl)-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 156891920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).