1-(3,5-dimethylphenyl)-5-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one

C22H27N5O2 — CID 51195291

IUPAC1-(3,5-dimethylphenyl)-5-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1cc(C)cc(-n2ncc3c(=O)n(CC(=O)N4C(C)CCCC4C)cnc32)c1
InChIInChI=1S/C22H27N5O2/c1-14-8-15(2)10-18(9-14)27-21-19(11-24-27)22(29)25(13-23-21)12-20(28)26-16(3)6-5-7-17(26)4/h8-11,13,16-17H,5-7,12H2,1-4H3
InChIKeyXCLIIGWXOTXBJK-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.99
Rot. Bonds3

About 1-(3,5-dimethylphenyl)-5-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one

1-(3,5-dimethylphenyl)-5-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 51195291) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-5-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-5-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID51195291
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name1-(3,5-dimethylphenyl)-5-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1cc(C)cc(-n2ncc3c(=O)n(CC(=O)N4C(C)CCCC4C)cnc32)c1
InChIInChI=1S/C22H27N5O2/c1-14-8-15(2)10-18(9-14)27-21-19(11-24-27)22(29)25(13-23-21)12-20(28)26-16(3)6-5-7-17(26)4/h8-11,13,16-17H,5-7,12H2,1-4H3
InChIKeyXCLIIGWXOTXBJK-UHFFFAOYSA-N
XLogP2.99
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(3,5-dimethylphenyl)-5-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one with MolForge

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Related Compounds

5-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 78622929
5-[2-(azocan-1-yl)-2-oxoethyl]-1-(3,5-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 27893711
2-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-methylcyclohexyl)acetamide
CID 46817587
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CID 112772732
3-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 46691610
2-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(methylcarbamoyl)acetamide
CID 30694252
2-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 30693258
1-[2-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetyl]-N-phenylpiperidine-4-carboxamide
CID 24571908
1-(3,5-dimethylphenyl)-5-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 24622763
2-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 30692847
1-(4-methylphenyl)-5-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 16883092
2-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(1,1-dioxothiolan-3-yl)-N-propylacetamide
CID 24562190

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-5-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-(3,5-dimethylphenyl)-5-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one (CID 51195291) is 1-(3,5-dimethylphenyl)-5-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-5-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-(3,5-dimethylphenyl)-5-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one is Cc1cc(C)cc(-n2ncc3c(=O)n(CC(=O)N4C(C)CCCC4C)cnc32)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-5-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is XCLIIGWXOTXBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-14-8-15(2)10-18(9-14)27-21-19(11-24-27)22(29)25(13-23-21)12-20(28)26-16(3)6-5-7-17(26)4/h8-11,13,16-17H,5-7,12H2,1-4H3.
What are the key properties of 1-(3,5-dimethylphenyl)-5-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one?
1-(3,5-dimethylphenyl)-5-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 393.49 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-5-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 51195291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).