7-amino-2-(4-chlorophenyl)-5-methylsulfanyl-4-nitropyrazolo[1,5-a]pyridine-6-carbonitrile

C15H10ClN5O2S — CID 15350915

IUPAC7-amino-2-(4-chlorophenyl)-5-methylsulfanyl-4-nitropyrazolo[1,5-a]pyridine-6-carbonitrile
SMILESCSc1c(C#N)c(N)n2nc(-c3ccc(Cl)cc3)cc2c1[N+](=O)[O-]
InChIInChI=1S/C15H10ClN5O2S/c1-24-14-10(7-17)15(18)20-12(13(14)21(22)23)6-11(19-20)8-2-4-9(16)5-3-8/h2-6H,18H2,1H3
InChIKeyDLOURJBTUVQJOK-UHFFFAOYSA-N
MW359.80 g/mol
LogP3.74
Rot. Bonds3

About 7-amino-2-(4-chlorophenyl)-5-methylsulfanyl-4-nitropyrazolo[1,5-a]pyridine-6-carbonitrile

7-amino-2-(4-chlorophenyl)-5-methylsulfanyl-4-nitropyrazolo[1,5-a]pyridine-6-carbonitrile (PubChem CID 15350915) has the molecular formula C15H10ClN5O2S and a molecular weight of 359.80 g/mol. Its IUPAC name is 7-amino-2-(4-chlorophenyl)-5-methylsulfanyl-4-nitropyrazolo[1,5-a]pyridine-6-carbonitrile.

Molecular Properties

Compound Name7-amino-2-(4-chlorophenyl)-5-methylsulfanyl-4-nitropyrazolo[1,5-a]pyridine-6-carbonitrile
PubChem CID15350915
Molecular FormulaC15H10ClN5O2S
Molecular Weight359.80 g/mol
Exact Mass359.02
IUPAC Name7-amino-2-(4-chlorophenyl)-5-methylsulfanyl-4-nitropyrazolo[1,5-a]pyridine-6-carbonitrile
SMILESCSc1c(C#N)c(N)n2nc(-c3ccc(Cl)cc3)cc2c1[N+](=O)[O-]
InChIInChI=1S/C15H10ClN5O2S/c1-24-14-10(7-17)15(18)20-12(13(14)21(22)23)6-11(19-20)8-2-4-9(16)5-3-8/h2-6H,18H2,1H3
InChIKeyDLOURJBTUVQJOK-UHFFFAOYSA-N
XLogP3.74
TPSA110.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.80
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-amino-2-(4-chlorophenyl)-5-methylsulfanyl-4-nitropyrazolo[1,5-a]pyridine-6-carbonitrile?
The IUPAC name of 7-amino-2-(4-chlorophenyl)-5-methylsulfanyl-4-nitropyrazolo[1,5-a]pyridine-6-carbonitrile (CID 15350915) is 7-amino-2-(4-chlorophenyl)-5-methylsulfanyl-4-nitropyrazolo[1,5-a]pyridine-6-carbonitrile.
What is the SMILES notation for 7-amino-2-(4-chlorophenyl)-5-methylsulfanyl-4-nitropyrazolo[1,5-a]pyridine-6-carbonitrile?
The canonical SMILES for 7-amino-2-(4-chlorophenyl)-5-methylsulfanyl-4-nitropyrazolo[1,5-a]pyridine-6-carbonitrile is CSc1c(C#N)c(N)n2nc(-c3ccc(Cl)cc3)cc2c1[N+](=O)[O-].
What is the InChIKey of 7-amino-2-(4-chlorophenyl)-5-methylsulfanyl-4-nitropyrazolo[1,5-a]pyridine-6-carbonitrile?
The InChIKey is DLOURJBTUVQJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN5O2S/c1-24-14-10(7-17)15(18)20-12(13(14)21(22)23)6-11(19-20)8-2-4-9(16)5-3-8/h2-6H,18H2,1H3.
What are the key properties of 7-amino-2-(4-chlorophenyl)-5-methylsulfanyl-4-nitropyrazolo[1,5-a]pyridine-6-carbonitrile?
7-amino-2-(4-chlorophenyl)-5-methylsulfanyl-4-nitropyrazolo[1,5-a]pyridine-6-carbonitrile has a molecular weight of 359.80 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-(4-chlorophenyl)-5-methylsulfanyl-4-nitropyrazolo[1,5-a]pyridine-6-carbonitrile is sourced from PubChem (CID 15350915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).