8-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-2-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one

C15H19N7O — CID 70731533

IUPAC8-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-2-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCC1=NC2(CCN(c3ncnc4c3c(C)nn4C)CC2)C(=O)N1
InChIInChI=1S/C15H19N7O/c1-9-11-12(21(3)20-9)16-8-17-13(11)22-6-4-15(5-7-22)14(23)18-10(2)19-15/h8H,4-7H2,1-3H3,(H,18,19,23)
InChIKeyKGQOADOAIBHKHP-UHFFFAOYSA-N
MW313.37 g/mol
LogP0.56
Rot. Bonds1

About 8-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-2-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one

8-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-2-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 70731533) has the molecular formula C15H19N7O and a molecular weight of 313.37 g/mol. Its IUPAC name is 8-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-2-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name8-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-2-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
PubChem CID70731533
Molecular FormulaC15H19N7O
Molecular Weight313.37 g/mol
Exact Mass313.17
IUPAC Name8-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-2-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCC1=NC2(CCN(c3ncnc4c3c(C)nn4C)CC2)C(=O)N1
InChIInChI=1S/C15H19N7O/c1-9-11-12(21(3)20-9)16-8-17-13(11)22-6-4-15(5-7-22)14(23)18-10(2)19-15/h8H,4-7H2,1-3H3,(H,18,19,23)
InChIKeyKGQOADOAIBHKHP-UHFFFAOYSA-N
XLogP0.56
TPSA88.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-2-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 8-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-2-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 70731533) is 8-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-2-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 8-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-2-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 8-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-2-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one is CC1=NC2(CCN(c3ncnc4c3c(C)nn4C)CC2)C(=O)N1.
What is the InChIKey of 8-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-2-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is KGQOADOAIBHKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7O/c1-9-11-12(21(3)20-9)16-8-17-13(11)22-6-4-15(5-7-22)14(23)18-10(2)19-15/h8H,4-7H2,1-3H3,(H,18,19,23).
What are the key properties of 8-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-2-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
8-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-2-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 313.37 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-2-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 70731533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).