6-ethyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C17H25N7 — CID 56901030

IUPAC6-ethyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCc1nc(NCCc2c(C)nn(CC)c2C)c2cnn(C)c2n1
InChIInChI=1S/C17H25N7/c1-6-15-20-16(14-10-19-23(5)17(14)21-15)18-9-8-13-11(3)22-24(7-2)12(13)4/h10H,6-9H2,1-5H3,(H,18,20,21)
InChIKeyHYFQJABWJREJML-UHFFFAOYSA-N
MW327.44 g/mol
LogP2.41
Rot. Bonds6

About 6-ethyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

6-ethyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 56901030) has the molecular formula C17H25N7 and a molecular weight of 327.44 g/mol. Its IUPAC name is 6-ethyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID56901030
Molecular FormulaC17H25N7
Molecular Weight327.44 g/mol
Exact Mass327.22
IUPAC Name6-ethyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCc1nc(NCCc2c(C)nn(CC)c2C)c2cnn(C)c2n1
InChIInChI=1S/C17H25N7/c1-6-15-20-16(14-10-19-23(5)17(14)21-15)18-9-8-13-11(3)22-24(7-2)12(13)4/h10H,6-9H2,1-5H3,(H,18,20,21)
InChIKeyHYFQJABWJREJML-UHFFFAOYSA-N
XLogP2.41
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 56901030) is 6-ethyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is CCc1nc(NCCc2c(C)nn(CC)c2C)c2cnn(C)c2n1.
What is the InChIKey of 6-ethyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is HYFQJABWJREJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7/c1-6-15-20-16(14-10-19-23(5)17(14)21-15)18-9-8-13-11(3)22-24(7-2)12(13)4/h10H,6-9H2,1-5H3,(H,18,20,21).
What are the key properties of 6-ethyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
6-ethyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 327.44 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56901030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).