1-methyl-6-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C17H22N8O — CID 137097230

IUPAC1-methyl-6-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1cc(N(C)C2CCN(c3nc4c(cnn4C)c(=O)[nH]3)CC2)ncn1
InChIInChI=1S/C17H22N8O/c1-11-8-14(19-10-18-11)23(2)12-4-6-25(7-5-12)17-21-15-13(16(26)22-17)9-20-24(15)3/h8-10,12H,4-7H2,1-3H3,(H,21,22,26)
InChIKeyDHNKBLXSOWGRBT-UHFFFAOYSA-N
MW354.42 g/mol
LogP0.86
Rot. Bonds3

About 1-methyl-6-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-methyl-6-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137097230) has the molecular formula C17H22N8O and a molecular weight of 354.42 g/mol. Its IUPAC name is 1-methyl-6-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-methyl-6-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137097230
Molecular FormulaC17H22N8O
Molecular Weight354.42 g/mol
Exact Mass354.19
IUPAC Name1-methyl-6-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1cc(N(C)C2CCN(c3nc4c(cnn4C)c(=O)[nH]3)CC2)ncn1
InChIInChI=1S/C17H22N8O/c1-11-8-14(19-10-18-11)23(2)12-4-6-25(7-5-12)17-21-15-13(16(26)22-17)9-20-24(15)3/h8-10,12H,4-7H2,1-3H3,(H,21,22,26)
InChIKeyDHNKBLXSOWGRBT-UHFFFAOYSA-N
XLogP0.86
TPSA95.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-methyl-6-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 137097230) is 1-methyl-6-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-methyl-6-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-methyl-6-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is Cc1cc(N(C)C2CCN(c3nc4c(cnn4C)c(=O)[nH]3)CC2)ncn1.
What is the InChIKey of 1-methyl-6-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is DHNKBLXSOWGRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N8O/c1-11-8-14(19-10-18-11)23(2)12-4-6-25(7-5-12)17-21-15-13(16(26)22-17)9-20-24(15)3/h8-10,12H,4-7H2,1-3H3,(H,21,22,26).
What are the key properties of 1-methyl-6-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-methyl-6-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 354.42 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137097230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).