N'-[2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetyl]-2-methylpropanehydrazide

C17H17ClN6O2S — CID 3193802

IUPACN'-[2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetyl]-2-methylpropanehydrazide
SMILESCC(C)C(=O)NNC(=O)CSc1ncnc2c1cnn2-c1ccccc1Cl
InChIInChI=1S/C17H17ClN6O2S/c1-10(2)16(26)23-22-14(25)8-27-17-11-7-21-24(15(11)19-9-20-17)13-6-4-3-5-12(13)18/h3-7,9-10H,8H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyBMQNEEORMOGLFT-UHFFFAOYSA-N
MW404.88 g/mol
LogP2.36
Rot. Bonds5

About N'-[2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetyl]-2-methylpropanehydrazide

N'-[2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetyl]-2-methylpropanehydrazide (PubChem CID 3193802) has the molecular formula C17H17ClN6O2S and a molecular weight of 404.88 g/mol. Its IUPAC name is N'-[2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetyl]-2-methylpropanehydrazide.

Molecular Properties

Compound NameN'-[2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetyl]-2-methylpropanehydrazide
PubChem CID3193802
Molecular FormulaC17H17ClN6O2S
Molecular Weight404.88 g/mol
Exact Mass404.08
IUPAC NameN'-[2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetyl]-2-methylpropanehydrazide
SMILESCC(C)C(=O)NNC(=O)CSc1ncnc2c1cnn2-c1ccccc1Cl
InChIInChI=1S/C17H17ClN6O2S/c1-10(2)16(26)23-22-14(25)8-27-17-11-7-21-24(15(11)19-9-20-17)13-6-4-3-5-12(13)18/h3-7,9-10H,8H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyBMQNEEORMOGLFT-UHFFFAOYSA-N
XLogP2.36
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.88
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetyl]-2-methylpropanehydrazide?
The IUPAC name of N'-[2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetyl]-2-methylpropanehydrazide (CID 3193802) is N'-[2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetyl]-2-methylpropanehydrazide.
What is the SMILES notation for N'-[2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetyl]-2-methylpropanehydrazide?
The canonical SMILES for N'-[2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetyl]-2-methylpropanehydrazide is CC(C)C(=O)NNC(=O)CSc1ncnc2c1cnn2-c1ccccc1Cl.
What is the InChIKey of N'-[2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetyl]-2-methylpropanehydrazide?
The InChIKey is BMQNEEORMOGLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6O2S/c1-10(2)16(26)23-22-14(25)8-27-17-11-7-21-24(15(11)19-9-20-17)13-6-4-3-5-12(13)18/h3-7,9-10H,8H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N'-[2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetyl]-2-methylpropanehydrazide?
N'-[2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetyl]-2-methylpropanehydrazide has a molecular weight of 404.88 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetyl]-2-methylpropanehydrazide is sourced from PubChem (CID 3193802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).