N'-[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]furan-2-carbohydrazide

C13H12N6O3S — CID 17442210

IUPACN'-[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]furan-2-carbohydrazide
SMILESCn1ncc2c(SCC(=O)NNC(=O)c3ccco3)ncnc21
InChIInChI=1S/C13H12N6O3S/c1-19-11-8(5-16-19)13(15-7-14-11)23-6-10(20)17-18-12(21)9-3-2-4-22-9/h2-5,7H,6H2,1H3,(H,17,20)(H,18,21)
InChIKeyOQHNKQDRIBBKQE-UHFFFAOYSA-N
MW332.35 g/mol
LogP0.51
Rot. Bonds4

About N'-[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]furan-2-carbohydrazide

N'-[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]furan-2-carbohydrazide (PubChem CID 17442210) has the molecular formula C13H12N6O3S and a molecular weight of 332.35 g/mol. Its IUPAC name is N'-[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]furan-2-carbohydrazide
PubChem CID17442210
Molecular FormulaC13H12N6O3S
Molecular Weight332.35 g/mol
Exact Mass332.07
IUPAC NameN'-[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]furan-2-carbohydrazide
SMILESCn1ncc2c(SCC(=O)NNC(=O)c3ccco3)ncnc21
InChIInChI=1S/C13H12N6O3S/c1-19-11-8(5-16-19)13(15-7-14-11)23-6-10(20)17-18-12(21)9-3-2-4-22-9/h2-5,7H,6H2,1H3,(H,17,20)(H,18,21)
InChIKeyOQHNKQDRIBBKQE-UHFFFAOYSA-N
XLogP0.51
TPSA114.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 50.51
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

N-[(1R)-1-(furan-2-yl)ethyl]-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 42106676
N-ethyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 42104675
methyl 2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetate
CID 42103957
1-methyl-4-[[3-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]phenyl]methylsulfanyl]pyrazolo[5,4-d]pyrimidine
CID 42103987
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 51319810
2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide
CID 17442118
N-[(1R)-3-methyl-1-phenylbutyl]-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 51489927
N-benzyl-N-ethyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 18141119
N-(9,10-dioxoanthracen-2-yl)-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 42104214
N-[(2,3-dimethylphenyl)carbamoyl]-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 24602196
1-methyl-4-[[4-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]phenyl]methylsulfanyl]pyrazolo[5,4-d]pyrimidine
CID 42103948
N-(1-methoxypropan-2-yl)-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 46694718

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]furan-2-carbohydrazide?
The IUPAC name of N'-[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]furan-2-carbohydrazide (CID 17442210) is N'-[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]furan-2-carbohydrazide?
The canonical SMILES for N'-[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]furan-2-carbohydrazide is Cn1ncc2c(SCC(=O)NNC(=O)c3ccco3)ncnc21.
What is the InChIKey of N'-[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]furan-2-carbohydrazide?
The InChIKey is OQHNKQDRIBBKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O3S/c1-19-11-8(5-16-19)13(15-7-14-11)23-6-10(20)17-18-12(21)9-3-2-4-22-9/h2-5,7H,6H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N'-[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]furan-2-carbohydrazide?
N'-[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]furan-2-carbohydrazide has a molecular weight of 332.35 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]furan-2-carbohydrazide is sourced from PubChem (CID 17442210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).