N'-acetyl-2-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetohydrazide

C16H16N6O3S — CID 1445543

IUPACN'-acetyl-2-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetohydrazide
SMILESCOc1ccc(-n2ncc3c(SCC(=O)NNC(C)=O)ncnc32)cc1
InChIInChI=1S/C16H16N6O3S/c1-10(23)20-21-14(24)8-26-16-13-7-19-22(15(13)17-9-18-16)11-3-5-12(25-2)6-4-11/h3-7,9H,8H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyNZLHDJYGELOURZ-UHFFFAOYSA-N
MW372.41 g/mol
LogP1.08
Rot. Bonds5

About N'-acetyl-2-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetohydrazide

N'-acetyl-2-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetohydrazide (PubChem CID 1445543) has the molecular formula C16H16N6O3S and a molecular weight of 372.41 g/mol. Its IUPAC name is N'-acetyl-2-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetohydrazide.

Molecular Properties

Compound NameN'-acetyl-2-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetohydrazide
PubChem CID1445543
Molecular FormulaC16H16N6O3S
Molecular Weight372.41 g/mol
Exact Mass372.10
IUPAC NameN'-acetyl-2-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetohydrazide
SMILESCOc1ccc(-n2ncc3c(SCC(=O)NNC(C)=O)ncnc32)cc1
InChIInChI=1S/C16H16N6O3S/c1-10(23)20-21-14(24)8-26-16-13-7-19-22(15(13)17-9-18-16)11-3-5-12(25-2)6-4-11/h3-7,9H,8H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyNZLHDJYGELOURZ-UHFFFAOYSA-N
XLogP1.08
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-N-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 656061
N-(1,3-benzodioxol-5-yl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 665044
2-[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide
CID 2042966
1-(4-methoxyphenyl)-N,N-dipropyl-4-pyrazolo[3,4-d]pyrimidinamine
CID 2941340
2-(1-Benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanyl)-N-(3,4-dimethoxy-phenyl)-acetamide
CID 3937211
N-ethyl-1-(4-methoxyphenyl)-N-phenylpyrazolo[5,4-d]pyrimidin-4-amine
CID 4403984
1-(4-methoxyphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-3-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine
CID 70682836
N-[(E)-(4-fluorophenyl)methylideneamino]-1-(4-methoxyphenyl)-3-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine
CID 70687067
N-[(E)-(4-bromophenyl)methylideneamino]-1-(4-methoxyphenyl)-3-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine
CID 70693355
N-[(E)-(3-methoxyphenyl)methylideneamino]-3-methylsulfanyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 70695458
N-[(E)-(4-chlorophenyl)methylideneamino]-1-(4-methoxyphenyl)-3-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine
CID 70697470
N-(4-ethoxyphenyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 875439

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-2-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetohydrazide?
The IUPAC name of N'-acetyl-2-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetohydrazide (CID 1445543) is N'-acetyl-2-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetohydrazide.
What is the SMILES notation for N'-acetyl-2-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetohydrazide?
The canonical SMILES for N'-acetyl-2-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetohydrazide is COc1ccc(-n2ncc3c(SCC(=O)NNC(C)=O)ncnc32)cc1.
What is the InChIKey of N'-acetyl-2-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetohydrazide?
The InChIKey is NZLHDJYGELOURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O3S/c1-10(23)20-21-14(24)8-26-16-13-7-19-22(15(13)17-9-18-16)11-3-5-12(25-2)6-4-11/h3-7,9H,8H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N'-acetyl-2-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetohydrazide?
N'-acetyl-2-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetohydrazide has a molecular weight of 372.41 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-2-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetohydrazide is sourced from PubChem (CID 1445543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).