1-(4-methylphenyl)-5-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]pyrazolo[5,4-d]pyrimidin-4-one

C21H25N5O2 — CID 16883092

IUPAC1-(4-methylphenyl)-5-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc(-n2ncc3c(=O)n(CCC(=O)N4CCCCC4C)cnc32)cc1
InChIInChI=1S/C21H25N5O2/c1-15-6-8-17(9-7-15)26-20-18(13-23-26)21(28)24(14-22-20)12-10-19(27)25-11-4-3-5-16(25)2/h6-9,13-14,16H,3-5,10-12H2,1-2H3
InChIKeyQGWXCYAMIQRSCG-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.68
Rot. Bonds4

About 1-(4-methylphenyl)-5-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]pyrazolo[5,4-d]pyrimidin-4-one

1-(4-methylphenyl)-5-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 16883092) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-(4-methylphenyl)-5-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(4-methylphenyl)-5-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID16883092
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name1-(4-methylphenyl)-5-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc(-n2ncc3c(=O)n(CCC(=O)N4CCCCC4C)cnc32)cc1
InChIInChI=1S/C21H25N5O2/c1-15-6-8-17(9-7-15)26-20-18(13-23-26)21(28)24(14-22-20)12-10-19(27)25-11-4-3-5-16(25)2/h6-9,13-14,16H,3-5,10-12H2,1-2H3
InChIKeyQGWXCYAMIQRSCG-UHFFFAOYSA-N
XLogP2.68
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-5-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-(4-methylphenyl)-5-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]pyrazolo[5,4-d]pyrimidin-4-one (CID 16883092) is 1-(4-methylphenyl)-5-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-(4-methylphenyl)-5-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-(4-methylphenyl)-5-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]pyrazolo[5,4-d]pyrimidin-4-one is Cc1ccc(-n2ncc3c(=O)n(CCC(=O)N4CCCCC4C)cnc32)cc1.
What is the InChIKey of 1-(4-methylphenyl)-5-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is QGWXCYAMIQRSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-15-6-8-17(9-7-15)26-20-18(13-23-26)21(28)24(14-22-20)12-10-19(27)25-11-4-3-5-16(25)2/h6-9,13-14,16H,3-5,10-12H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)-5-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]pyrazolo[5,4-d]pyrimidin-4-one?
1-(4-methylphenyl)-5-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 379.46 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-5-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 16883092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).