N-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)azetidin-3-yl]-1-methylpyrazole-3-carboxamide

C15H18N8O — CID 171996543

IUPACN-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)azetidin-3-yl]-1-methylpyrazole-3-carboxamide
SMILESCc1nc(N2CC(NC(=O)c3ccn(C)n3)C2)c2cnn(C)c2n1
InChIInChI=1S/C15H18N8O/c1-9-17-13-11(6-16-22(13)3)14(18-9)23-7-10(8-23)19-15(24)12-4-5-21(2)20-12/h4-6,10H,7-8H2,1-3H3,(H,19,24)
InChIKeyQZOLPSDJVSIRLS-UHFFFAOYSA-N
MW326.36 g/mol
LogP0.02
Rot. Bonds3

About N-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)azetidin-3-yl]-1-methylpyrazole-3-carboxamide

N-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)azetidin-3-yl]-1-methylpyrazole-3-carboxamide (PubChem CID 171996543) has the molecular formula C15H18N8O and a molecular weight of 326.36 g/mol. Its IUPAC name is N-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)azetidin-3-yl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)azetidin-3-yl]-1-methylpyrazole-3-carboxamide
PubChem CID171996543
Molecular FormulaC15H18N8O
Molecular Weight326.36 g/mol
Exact Mass326.16
IUPAC NameN-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)azetidin-3-yl]-1-methylpyrazole-3-carboxamide
SMILESCc1nc(N2CC(NC(=O)c3ccn(C)n3)C2)c2cnn(C)c2n1
InChIInChI=1S/C15H18N8O/c1-9-17-13-11(6-16-22(13)3)14(18-9)23-7-10(8-23)19-15(24)12-4-5-21(2)20-12/h4-6,10H,7-8H2,1-3H3,(H,19,24)
InChIKeyQZOLPSDJVSIRLS-UHFFFAOYSA-N
XLogP0.02
TPSA93.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)azetidin-3-yl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)azetidin-3-yl]-1-methylpyrazole-3-carboxamide (CID 171996543) is N-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)azetidin-3-yl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)azetidin-3-yl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)azetidin-3-yl]-1-methylpyrazole-3-carboxamide is Cc1nc(N2CC(NC(=O)c3ccn(C)n3)C2)c2cnn(C)c2n1.
What is the InChIKey of N-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)azetidin-3-yl]-1-methylpyrazole-3-carboxamide?
The InChIKey is QZOLPSDJVSIRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N8O/c1-9-17-13-11(6-16-22(13)3)14(18-9)23-7-10(8-23)19-15(24)12-4-5-21(2)20-12/h4-6,10H,7-8H2,1-3H3,(H,19,24).
What are the key properties of N-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)azetidin-3-yl]-1-methylpyrazole-3-carboxamide?
N-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)azetidin-3-yl]-1-methylpyrazole-3-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)azetidin-3-yl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 171996543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).