2-(4-amino-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl)sulfanylpentanamide

C16H18N6OS — CID 10712342

IUPAC2-(4-amino-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl)sulfanylpentanamide
SMILESCCCC(Sc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O
InChIInChI=1S/C16H18N6OS/c1-2-6-12(14(18)23)24-16-20-13(17)11-9-19-22(15(11)21-16)10-7-4-3-5-8-10/h3-5,7-9,12H,2,6H2,1H3,(H2,18,23)(H2,17,20,21)
InChIKeyFNEUIWSCQPBECN-UHFFFAOYSA-N
MW342.43 g/mol
LogP2.14
Rot. Bonds6

About 2-(4-amino-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl)sulfanylpentanamide

2-(4-amino-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl)sulfanylpentanamide (PubChem CID 10712342) has the molecular formula C16H18N6OS and a molecular weight of 342.43 g/mol. Its IUPAC name is 2-(4-amino-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl)sulfanylpentanamide.

Molecular Properties

Compound Name2-(4-amino-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl)sulfanylpentanamide
PubChem CID10712342
Molecular FormulaC16H18N6OS
Molecular Weight342.43 g/mol
Exact Mass342.13
IUPAC Name2-(4-amino-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl)sulfanylpentanamide
SMILESCCCC(Sc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O
InChIInChI=1S/C16H18N6OS/c1-2-6-12(14(18)23)24-16-20-13(17)11-9-19-22(15(11)21-16)10-7-4-3-5-8-10/h3-5,7-9,12H,2,6H2,1H3,(H2,18,23)(H2,17,20,21)
InChIKeyFNEUIWSCQPBECN-UHFFFAOYSA-N
XLogP2.14
TPSA112.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl)sulfanylpentanamide?
The IUPAC name of 2-(4-amino-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl)sulfanylpentanamide (CID 10712342) is 2-(4-amino-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl)sulfanylpentanamide.
What is the SMILES notation for 2-(4-amino-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl)sulfanylpentanamide?
The canonical SMILES for 2-(4-amino-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl)sulfanylpentanamide is CCCC(Sc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O.
What is the InChIKey of 2-(4-amino-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl)sulfanylpentanamide?
The InChIKey is FNEUIWSCQPBECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6OS/c1-2-6-12(14(18)23)24-16-20-13(17)11-9-19-22(15(11)21-16)10-7-4-3-5-8-10/h3-5,7-9,12H,2,6H2,1H3,(H2,18,23)(H2,17,20,21).
What are the key properties of 2-(4-amino-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl)sulfanylpentanamide?
2-(4-amino-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl)sulfanylpentanamide has a molecular weight of 342.43 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl)sulfanylpentanamide is sourced from PubChem (CID 10712342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).