8-methylsulfanyl-2-(piperidin-4-ylmethyl)pyrazolo[4,3-h]quinazoline-3-carboxamide;hydrochloride

C17H21ClN6OS — CID 67973480

IUPAC8-methylsulfanyl-2-(piperidin-4-ylmethyl)pyrazolo[4,3-h]quinazoline-3-carboxamide;hydrochloride
SMILESCSc1ncc2ccc3c(C(N)=O)n(CC4CCNCC4)nc3c2n1.Cl
InChIInChI=1S/C17H20N6OS.ClH/c1-25-17-20-8-11-2-3-12-14(13(11)21-17)22-23(15(12)16(18)24)9-10-4-6-19-7-5-10;/h2-3,8,10,19H,4-7,9H2,1H3,(H2,18,24);1H
InChIKeyHEIPYWFUKNUGAG-UHFFFAOYSA-N
MW392.92 g/mol
LogP2.22
Rot. Bonds4

About 8-methylsulfanyl-2-(piperidin-4-ylmethyl)pyrazolo[4,3-h]quinazoline-3-carboxamide;hydrochloride

8-methylsulfanyl-2-(piperidin-4-ylmethyl)pyrazolo[4,3-h]quinazoline-3-carboxamide;hydrochloride (PubChem CID 67973480) has the molecular formula C17H21ClN6OS and a molecular weight of 392.92 g/mol. Its IUPAC name is 8-methylsulfanyl-2-(piperidin-4-ylmethyl)pyrazolo[4,3-h]quinazoline-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name8-methylsulfanyl-2-(piperidin-4-ylmethyl)pyrazolo[4,3-h]quinazoline-3-carboxamide;hydrochloride
PubChem CID67973480
Molecular FormulaC17H21ClN6OS
Molecular Weight392.92 g/mol
Exact Mass392.12
IUPAC Name8-methylsulfanyl-2-(piperidin-4-ylmethyl)pyrazolo[4,3-h]quinazoline-3-carboxamide;hydrochloride
SMILESCSc1ncc2ccc3c(C(N)=O)n(CC4CCNCC4)nc3c2n1.Cl
InChIInChI=1S/C17H20N6OS.ClH/c1-25-17-20-8-11-2-3-12-14(13(11)21-17)22-23(15(12)16(18)24)9-10-4-6-19-7-5-10;/h2-3,8,10,19H,4-7,9H2,1H3,(H2,18,24);1H
InChIKeyHEIPYWFUKNUGAG-UHFFFAOYSA-N
XLogP2.22
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.92
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-methylsulfanyl-2-(piperidin-4-ylmethyl)pyrazolo[4,3-h]quinazoline-3-carboxamide;hydrochloride?
The IUPAC name of 8-methylsulfanyl-2-(piperidin-4-ylmethyl)pyrazolo[4,3-h]quinazoline-3-carboxamide;hydrochloride (CID 67973480) is 8-methylsulfanyl-2-(piperidin-4-ylmethyl)pyrazolo[4,3-h]quinazoline-3-carboxamide;hydrochloride.
What is the SMILES notation for 8-methylsulfanyl-2-(piperidin-4-ylmethyl)pyrazolo[4,3-h]quinazoline-3-carboxamide;hydrochloride?
The canonical SMILES for 8-methylsulfanyl-2-(piperidin-4-ylmethyl)pyrazolo[4,3-h]quinazoline-3-carboxamide;hydrochloride is CSc1ncc2ccc3c(C(N)=O)n(CC4CCNCC4)nc3c2n1.Cl.
What is the InChIKey of 8-methylsulfanyl-2-(piperidin-4-ylmethyl)pyrazolo[4,3-h]quinazoline-3-carboxamide;hydrochloride?
The InChIKey is HEIPYWFUKNUGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6OS.ClH/c1-25-17-20-8-11-2-3-12-14(13(11)21-17)22-23(15(12)16(18)24)9-10-4-6-19-7-5-10;/h2-3,8,10,19H,4-7,9H2,1H3,(H2,18,24);1H.
What are the key properties of 8-methylsulfanyl-2-(piperidin-4-ylmethyl)pyrazolo[4,3-h]quinazoline-3-carboxamide;hydrochloride?
8-methylsulfanyl-2-(piperidin-4-ylmethyl)pyrazolo[4,3-h]quinazoline-3-carboxamide;hydrochloride has a molecular weight of 392.92 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylsulfanyl-2-(piperidin-4-ylmethyl)pyrazolo[4,3-h]quinazoline-3-carboxamide;hydrochloride is sourced from PubChem (CID 67973480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).