1,5-dimethyl-6-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidin-4-one

C15H19N7O — CID 126947534

IUPAC1,5-dimethyl-6-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1cnn(C2CCN(c3nc4c(cnn4C)c(=O)n3C)C2)c1
InChIInChI=1S/C15H19N7O/c1-10-6-17-22(8-10)11-4-5-21(9-11)15-18-13-12(7-16-20(13)3)14(23)19(15)2/h6-8,11H,4-5,9H2,1-3H3
InChIKeyDEERXBYAZORPMB-UHFFFAOYSA-N
MW313.37 g/mol
LogP0.62
Rot. Bonds2

About 1,5-dimethyl-6-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidin-4-one

1,5-dimethyl-6-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 126947534) has the molecular formula C15H19N7O and a molecular weight of 313.37 g/mol. Its IUPAC name is 1,5-dimethyl-6-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1,5-dimethyl-6-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID126947534
Molecular FormulaC15H19N7O
Molecular Weight313.37 g/mol
Exact Mass313.17
IUPAC Name1,5-dimethyl-6-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1cnn(C2CCN(c3nc4c(cnn4C)c(=O)n3C)C2)c1
InChIInChI=1S/C15H19N7O/c1-10-6-17-22(8-10)11-4-5-21(9-11)15-18-13-12(7-16-20(13)3)14(23)19(15)2/h6-8,11H,4-5,9H2,1-3H3
InChIKeyDEERXBYAZORPMB-UHFFFAOYSA-N
XLogP0.62
TPSA73.77 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-6-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1,5-dimethyl-6-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidin-4-one (CID 126947534) is 1,5-dimethyl-6-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1,5-dimethyl-6-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1,5-dimethyl-6-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidin-4-one is Cc1cnn(C2CCN(c3nc4c(cnn4C)c(=O)n3C)C2)c1.
What is the InChIKey of 1,5-dimethyl-6-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is DEERXBYAZORPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7O/c1-10-6-17-22(8-10)11-4-5-21(9-11)15-18-13-12(7-16-20(13)3)14(23)19(15)2/h6-8,11H,4-5,9H2,1-3H3.
What are the key properties of 1,5-dimethyl-6-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidin-4-one?
1,5-dimethyl-6-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 313.37 g/mol, XLogP of 0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-6-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 126947534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).