2-methylpyrazolo[1,5-a]pyridine-3-carbonitrile;2-methylpyrazolo[1,5-a]pyridine-3-carbothioamide;hydrochloride

C18H17ClN6S — CID 158323654

IUPAC2-methylpyrazolo[1,5-a]pyridine-3-carbonitrile;2-methylpyrazolo[1,5-a]pyridine-3-carbothioamide;hydrochloride
SMILESCc1nn2ccccc2c1C#N.Cc1nn2ccccc2c1C(N)=S.Cl
InChIInChI=1S/C9H9N3S.C9H7N3.ClH/c1-6-8(9(10)13)7-4-2-3-5-12(7)11-6;1-7-8(6-10)9-4-2-3-5-12(9)11-7;/h2-5H,1H3,(H2,10,13);2-5H,1H3;1H
InChIKeyRGPKMLDKALQWOH-UHFFFAOYSA-N
MW384.90 g/mol
LogP3.21
Rot. Bonds1

About 2-methylpyrazolo[1,5-a]pyridine-3-carbonitrile;2-methylpyrazolo[1,5-a]pyridine-3-carbothioamide;hydrochloride

2-methylpyrazolo[1,5-a]pyridine-3-carbonitrile;2-methylpyrazolo[1,5-a]pyridine-3-carbothioamide;hydrochloride (PubChem CID 158323654) has the molecular formula C18H17ClN6S and a molecular weight of 384.90 g/mol. Its IUPAC name is 2-methylpyrazolo[1,5-a]pyridine-3-carbonitrile;2-methylpyrazolo[1,5-a]pyridine-3-carbothioamide;hydrochloride.

Molecular Properties

Compound Name2-methylpyrazolo[1,5-a]pyridine-3-carbonitrile;2-methylpyrazolo[1,5-a]pyridine-3-carbothioamide;hydrochloride
PubChem CID158323654
Molecular FormulaC18H17ClN6S
Molecular Weight384.90 g/mol
Exact Mass384.09
IUPAC Name2-methylpyrazolo[1,5-a]pyridine-3-carbonitrile;2-methylpyrazolo[1,5-a]pyridine-3-carbothioamide;hydrochloride
SMILESCc1nn2ccccc2c1C#N.Cc1nn2ccccc2c1C(N)=S.Cl
InChIInChI=1S/C9H9N3S.C9H7N3.ClH/c1-6-8(9(10)13)7-4-2-3-5-12(7)11-6;1-7-8(6-10)9-4-2-3-5-12(9)11-7;/h2-5H,1H3,(H2,10,13);2-5H,1H3;1H
InChIKeyRGPKMLDKALQWOH-UHFFFAOYSA-N
XLogP3.21
TPSA84.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.90
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylpyrazolo[1,5-a]pyridine-3-carbonitrile;2-methylpyrazolo[1,5-a]pyridine-3-carbothioamide;hydrochloride?
The IUPAC name of 2-methylpyrazolo[1,5-a]pyridine-3-carbonitrile;2-methylpyrazolo[1,5-a]pyridine-3-carbothioamide;hydrochloride (CID 158323654) is 2-methylpyrazolo[1,5-a]pyridine-3-carbonitrile;2-methylpyrazolo[1,5-a]pyridine-3-carbothioamide;hydrochloride.
What is the SMILES notation for 2-methylpyrazolo[1,5-a]pyridine-3-carbonitrile;2-methylpyrazolo[1,5-a]pyridine-3-carbothioamide;hydrochloride?
The canonical SMILES for 2-methylpyrazolo[1,5-a]pyridine-3-carbonitrile;2-methylpyrazolo[1,5-a]pyridine-3-carbothioamide;hydrochloride is Cc1nn2ccccc2c1C#N.Cc1nn2ccccc2c1C(N)=S.Cl.
What is the InChIKey of 2-methylpyrazolo[1,5-a]pyridine-3-carbonitrile;2-methylpyrazolo[1,5-a]pyridine-3-carbothioamide;hydrochloride?
The InChIKey is RGPKMLDKALQWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3S.C9H7N3.ClH/c1-6-8(9(10)13)7-4-2-3-5-12(7)11-6;1-7-8(6-10)9-4-2-3-5-12(9)11-7;/h2-5H,1H3,(H2,10,13);2-5H,1H3;1H.
What are the key properties of 2-methylpyrazolo[1,5-a]pyridine-3-carbonitrile;2-methylpyrazolo[1,5-a]pyridine-3-carbothioamide;hydrochloride?
2-methylpyrazolo[1,5-a]pyridine-3-carbonitrile;2-methylpyrazolo[1,5-a]pyridine-3-carbothioamide;hydrochloride has a molecular weight of 384.90 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpyrazolo[1,5-a]pyridine-3-carbonitrile;2-methylpyrazolo[1,5-a]pyridine-3-carbothioamide;hydrochloride is sourced from PubChem (CID 158323654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).