5-butyl-6-(4-methoxyphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

C22H22N4O2 — CID 2038166

IUPAC5-butyl-6-(4-methoxyphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCCCCn1c(-c2ccc(OC)cc2)nc2c(cnn2-c2ccccc2)c1=O
InChIInChI=1S/C22H22N4O2/c1-3-4-14-25-20(16-10-12-18(28-2)13-11-16)24-21-19(22(25)27)15-23-26(21)17-8-6-5-7-9-17/h5-13,15H,3-4,14H2,1-2H3
InChIKeyHWRVUCBTULFZJJ-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.06
Rot. Bonds6

About 5-butyl-6-(4-methoxyphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

5-butyl-6-(4-methoxyphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 2038166) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 5-butyl-6-(4-methoxyphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-butyl-6-(4-methoxyphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID2038166
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name5-butyl-6-(4-methoxyphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCCCCn1c(-c2ccc(OC)cc2)nc2c(cnn2-c2ccccc2)c1=O
InChIInChI=1S/C22H22N4O2/c1-3-4-14-25-20(16-10-12-18(28-2)13-11-16)24-21-19(22(25)27)15-23-26(21)17-8-6-5-7-9-17/h5-13,15H,3-4,14H2,1-2H3
InChIKeyHWRVUCBTULFZJJ-UHFFFAOYSA-N
XLogP4.06
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-methoxyphenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 2275304
5-(4-methoxyphenyl)-1,6-diphenylpyrazolo[5,4-d]pyrimidin-4-one
CID 67281727
5-(2-chloroethyl)-1-phenyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-one
CID 162720142
6-(4-methoxyphenyl)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135426480
5-(2-chloroethyl)-6-(2-methoxy-3-pyridinyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 162720138
3-[5-(4-ethoxyphenoxy)pentyl]-2-(4-methoxyphenyl)quinazolin-4-one
CID 2010216
5,7-dimethyl-6-pentyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one
CID 118579926
5-(3-methylphenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 4612081
6-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137272615
N-(2,5-dimethoxyphenyl)-3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 16882251
6-methyl-5-[(4-methylphenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 23905910
5-(3-methylphenyl)-1,6-diphenylpyrazolo[5,4-d]pyrimidin-4-one
CID 1347889

Frequently Asked Questions

What is the IUPAC name of 5-butyl-6-(4-methoxyphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-butyl-6-(4-methoxyphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (CID 2038166) is 5-butyl-6-(4-methoxyphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-butyl-6-(4-methoxyphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-butyl-6-(4-methoxyphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is CCCCn1c(-c2ccc(OC)cc2)nc2c(cnn2-c2ccccc2)c1=O.
What is the InChIKey of 5-butyl-6-(4-methoxyphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is HWRVUCBTULFZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-3-4-14-25-20(16-10-12-18(28-2)13-11-16)24-21-19(22(25)27)15-23-26(21)17-8-6-5-7-9-17/h5-13,15H,3-4,14H2,1-2H3.
What are the key properties of 5-butyl-6-(4-methoxyphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
5-butyl-6-(4-methoxyphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 374.44 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-6-(4-methoxyphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 2038166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).