1-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide

C19H22N6O — CID 661194

IUPAC1-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCc1ccc(-n2ncc3c(N4CCC(C(N)=O)CC4)ncnc32)c(C)c1
InChIInChI=1S/C19H22N6O/c1-12-3-4-16(13(2)9-12)25-19-15(10-23-25)18(21-11-22-19)24-7-5-14(6-8-24)17(20)26/h3-4,9-11,14H,5-8H2,1-2H3,(H2,20,26)
InChIKeyWUQFTDKEKURMCO-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.13
Rot. Bonds3

About 1-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide

1-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 661194) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 1-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID661194
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name1-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCc1ccc(-n2ncc3c(N4CCC(C(N)=O)CC4)ncnc32)c(C)c1
InChIInChI=1S/C19H22N6O/c1-12-3-4-16(13(2)9-12)25-19-15(10-23-25)18(21-11-22-19)24-7-5-14(6-8-24)17(20)26/h3-4,9-11,14H,5-8H2,1-2H3,(H2,20,26)
InChIKeyWUQFTDKEKURMCO-UHFFFAOYSA-N
XLogP2.13
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide (CID 661194) is 1-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide is Cc1ccc(-n2ncc3c(N4CCC(C(N)=O)CC4)ncnc32)c(C)c1.
What is the InChIKey of 1-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is WUQFTDKEKURMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-12-3-4-16(13(2)9-12)25-19-15(10-23-25)18(21-11-22-19)24-7-5-14(6-8-24)17(20)26/h3-4,9-11,14H,5-8H2,1-2H3,(H2,20,26).
What are the key properties of 1-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide?
1-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 350.43 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 661194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).