2-(4-methylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)sulfanylbutanamide

C16H17N5OS2 — CID 10737192

IUPAC2-(4-methylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)sulfanylbutanamide
SMILESCCC(Sc1nc(SC)c2cnn(-c3ccccc3)c2n1)C(N)=O
InChIInChI=1S/C16H17N5OS2/c1-3-12(13(17)22)24-16-19-14-11(15(20-16)23-2)9-18-21(14)10-7-5-4-6-8-10/h4-9,12H,3H2,1-2H3,(H2,17,22)
InChIKeyCTAZJMUKYKCOMY-UHFFFAOYSA-N
MW359.48 g/mol
LogP2.89
Rot. Bonds6

About 2-(4-methylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)sulfanylbutanamide

2-(4-methylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)sulfanylbutanamide (PubChem CID 10737192) has the molecular formula C16H17N5OS2 and a molecular weight of 359.48 g/mol. Its IUPAC name is 2-(4-methylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)sulfanylbutanamide.

Molecular Properties

Compound Name2-(4-methylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)sulfanylbutanamide
PubChem CID10737192
Molecular FormulaC16H17N5OS2
Molecular Weight359.48 g/mol
Exact Mass359.09
IUPAC Name2-(4-methylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)sulfanylbutanamide
SMILESCCC(Sc1nc(SC)c2cnn(-c3ccccc3)c2n1)C(N)=O
InChIInChI=1S/C16H17N5OS2/c1-3-12(13(17)22)24-16-19-14-11(15(20-16)23-2)9-18-21(14)10-7-5-4-6-8-10/h4-9,12H,3H2,1-2H3,(H2,17,22)
InChIKeyCTAZJMUKYKCOMY-UHFFFAOYSA-N
XLogP2.89
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(1-Benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-3,3-dimethylbutan-2-one
CID 2044932
3,3-Dimethyl-1-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylbutan-2-one
CID 2653436
2-(4-Methylamino-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-ylsulfanyl)-hexanoic acid amide
CID 10248600
2-(4-Amino-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-ylsulfanyl)-hexanoic acid amide
CID 10450937
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
Methyl 2-[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetate
CID 7199975
N-[(1-phenylpyrazolo[4,5-e]pyrimidin-4-yl)amino]propanamide
CID 16194320
N-(oxolan-2-ylmethyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropanamide
CID 16312568
[2-(1-Phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanyl)-acetylamino]-acetic acid ethyl ester
CID 645281
[2-(1-p-Tolyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanyl)-acetylamino]-acetic acid ethyl ester
CID 654950
2-[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]-N,N-diethylacetamide
CID 665455

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)sulfanylbutanamide?
The IUPAC name of 2-(4-methylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)sulfanylbutanamide (CID 10737192) is 2-(4-methylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)sulfanylbutanamide.
What is the SMILES notation for 2-(4-methylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)sulfanylbutanamide?
The canonical SMILES for 2-(4-methylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)sulfanylbutanamide is CCC(Sc1nc(SC)c2cnn(-c3ccccc3)c2n1)C(N)=O.
What is the InChIKey of 2-(4-methylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)sulfanylbutanamide?
The InChIKey is CTAZJMUKYKCOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS2/c1-3-12(13(17)22)24-16-19-14-11(15(20-16)23-2)9-18-21(14)10-7-5-4-6-8-10/h4-9,12H,3H2,1-2H3,(H2,17,22).
What are the key properties of 2-(4-methylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)sulfanylbutanamide?
2-(4-methylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)sulfanylbutanamide has a molecular weight of 359.48 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)sulfanylbutanamide is sourced from PubChem (CID 10737192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).