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

C17H20N6OS — CID 10450937

IUPAC2-(4-amino-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl)sulfanylhexanamide
SMILESCCCCC(Sc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O
InChIInChI=1S/C17H20N6OS/c1-2-3-9-13(15(19)24)25-17-21-14(18)12-10-20-23(16(12)22-17)11-7-5-4-6-8-11/h4-8,10,13H,2-3,9H2,1H3,(H2,19,24)(H2,18,21,22)
InChIKeyPLZMNWQRIDASHR-UHFFFAOYSA-N
MW356.46 g/mol
LogP2.53
Rot. Bonds7

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

2-(4-amino-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl)sulfanylhexanamide (PubChem CID 10450937) has the molecular formula C17H20N6OS and a molecular weight of 356.46 g/mol. Its IUPAC name is 2-(4-amino-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl)sulfanylhexanamide.

Molecular Properties

Compound Name2-(4-amino-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl)sulfanylhexanamide
PubChem CID10450937
Molecular FormulaC17H20N6OS
Molecular Weight356.46 g/mol
Exact Mass356.14
IUPAC Name2-(4-amino-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl)sulfanylhexanamide
SMILESCCCCC(Sc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O
InChIInChI=1S/C17H20N6OS/c1-2-3-9-13(15(19)24)25-17-21-14(18)12-10-20-23(16(12)22-17)11-7-5-4-6-8-11/h4-8,10,13H,2-3,9H2,1H3,(H2,19,24)(H2,18,21,22)
InChIKeyPLZMNWQRIDASHR-UHFFFAOYSA-N
XLogP2.53
TPSA112.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3,3-Dimethyl-1-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylbutan-2-one
CID 2653436
N-(3-{4-[(2E)-2-(pyridin-4-ylmethylidene)hydrazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}phenyl)butanamide
CID 90795938
2-(4-Methylamino-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-ylsulfanyl)-hexanoic acid amide
CID 10248600
N-tert-butyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 859496
4-Isopropylsulfanyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
CID 864540
N-(4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide
CID 3984871
N'-(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)acetohydrazide
CID 4912610
N-(3-acetamidophenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 7888651
N-[(1-phenylpyrazolo[4,5-e]pyrimidin-4-yl)amino]propanamide
CID 16194320
[2-(1-Phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanyl)-acetylamino]-acetic acid ethyl ester
CID 645281
N-(4-Acetylamino-phenyl)-2-(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanyl)-acetamide
CID 3652913
ethyl 2-((1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetate
CID 654052

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl)sulfanylhexanamide?
The IUPAC name of 2-(4-amino-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl)sulfanylhexanamide (CID 10450937) is 2-(4-amino-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl)sulfanylhexanamide.
What is the SMILES notation for 2-(4-amino-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl)sulfanylhexanamide?
The canonical SMILES for 2-(4-amino-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl)sulfanylhexanamide is CCCCC(Sc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O.
What is the InChIKey of 2-(4-amino-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl)sulfanylhexanamide?
The InChIKey is PLZMNWQRIDASHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6OS/c1-2-3-9-13(15(19)24)25-17-21-14(18)12-10-20-23(16(12)22-17)11-7-5-4-6-8-11/h4-8,10,13H,2-3,9H2,1H3,(H2,19,24)(H2,18,21,22).
What are the key properties of 2-(4-amino-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl)sulfanylhexanamide?
2-(4-amino-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl)sulfanylhexanamide has a molecular weight of 356.46 g/mol, XLogP of 2.53, 7 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)sulfanylhexanamide is sourced from PubChem (CID 10450937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).