6-[[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C16H23N7O — CID 137303346

IUPAC6-[[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1cc(C)n(CCCN(C)Cc2nc3c(cnn3C)c(=O)[nH]2)n1
InChIInChI=1S/C16H23N7O/c1-11-8-12(2)23(20-11)7-5-6-21(3)10-14-18-15-13(16(24)19-14)9-17-22(15)4/h8-9H,5-7,10H2,1-4H3,(H,18,19,24)
InChIKeyDZHWTWVTDIYRLM-UHFFFAOYSA-N
MW329.41 g/mol
LogP0.99
Rot. Bonds6

About 6-[[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-[[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137303346) has the molecular formula C16H23N7O and a molecular weight of 329.41 g/mol. Its IUPAC name is 6-[[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137303346
Molecular FormulaC16H23N7O
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC Name6-[[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1cc(C)n(CCCN(C)Cc2nc3c(cnn3C)c(=O)[nH]2)n1
InChIInChI=1S/C16H23N7O/c1-11-8-12(2)23(20-11)7-5-6-21(3)10-14-18-15-13(16(24)19-14)9-17-22(15)4/h8-9H,5-7,10H2,1-4H3,(H,18,19,24)
InChIKeyDZHWTWVTDIYRLM-UHFFFAOYSA-N
XLogP0.99
TPSA84.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 137303346) is 6-[[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is Cc1cc(C)n(CCCN(C)Cc2nc3c(cnn3C)c(=O)[nH]2)n1.
What is the InChIKey of 6-[[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is DZHWTWVTDIYRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O/c1-11-8-12(2)23(20-11)7-5-6-21(3)10-14-18-15-13(16(24)19-14)9-17-22(15)4/h8-9H,5-7,10H2,1-4H3,(H,18,19,24).
What are the key properties of 6-[[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-[[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 329.41 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137303346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).