1-(2-methylphenyl)-5-[(2-oxopiperidin-1-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one

C18H19N5O2 — CID 86786360

IUPAC1-(2-methylphenyl)-5-[(2-oxopiperidin-1-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccccc1-n1ncc2c(=O)n(CN3CCCCC3=O)cnc21
InChIInChI=1S/C18H19N5O2/c1-13-6-2-3-7-15(13)23-17-14(10-20-23)18(25)22(11-19-17)12-21-9-5-4-8-16(21)24/h2-3,6-7,10-11H,4-5,8-9,12H2,1H3
InChIKeyIQRKGRBUNIWFIQ-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.86
Rot. Bonds3

About 1-(2-methylphenyl)-5-[(2-oxopiperidin-1-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one

1-(2-methylphenyl)-5-[(2-oxopiperidin-1-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 86786360) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 1-(2-methylphenyl)-5-[(2-oxopiperidin-1-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(2-methylphenyl)-5-[(2-oxopiperidin-1-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID86786360
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name1-(2-methylphenyl)-5-[(2-oxopiperidin-1-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccccc1-n1ncc2c(=O)n(CN3CCCCC3=O)cnc21
InChIInChI=1S/C18H19N5O2/c1-13-6-2-3-7-15(13)23-17-14(10-20-23)18(25)22(11-19-17)12-21-9-5-4-8-16(21)24/h2-3,6-7,10-11H,4-5,8-9,12H2,1H3
InChIKeyIQRKGRBUNIWFIQ-UHFFFAOYSA-N
XLogP1.86
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-5-[(2-oxopiperidin-1-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-(2-methylphenyl)-5-[(2-oxopiperidin-1-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one (CID 86786360) is 1-(2-methylphenyl)-5-[(2-oxopiperidin-1-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-(2-methylphenyl)-5-[(2-oxopiperidin-1-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-(2-methylphenyl)-5-[(2-oxopiperidin-1-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one is Cc1ccccc1-n1ncc2c(=O)n(CN3CCCCC3=O)cnc21.
What is the InChIKey of 1-(2-methylphenyl)-5-[(2-oxopiperidin-1-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is IQRKGRBUNIWFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-13-6-2-3-7-15(13)23-17-14(10-20-23)18(25)22(11-19-17)12-21-9-5-4-8-16(21)24/h2-3,6-7,10-11H,4-5,8-9,12H2,1H3.
What are the key properties of 1-(2-methylphenyl)-5-[(2-oxopiperidin-1-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one?
1-(2-methylphenyl)-5-[(2-oxopiperidin-1-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 337.38 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-5-[(2-oxopiperidin-1-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 86786360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).