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

C16H19N5S — CID 141335519

IUPAC8-methylsulfanyl-2-(piperidin-4-ylmethyl)pyrazolo[4,3-h]quinazoline
SMILESCSc1ncc2ccc3cn(CC4CCNCC4)nc3c2n1
InChIInChI=1S/C16H19N5S/c1-22-16-18-8-12-2-3-13-10-21(20-15(13)14(12)19-16)9-11-4-6-17-7-5-11/h2-3,8,10-11,17H,4-7,9H2,1H3
InChIKeyOQIXJIWJQLXKSH-UHFFFAOYSA-N
MW313.43 g/mol
LogP2.70
Rot. Bonds3

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

8-methylsulfanyl-2-(piperidin-4-ylmethyl)pyrazolo[4,3-h]quinazoline (PubChem CID 141335519) has the molecular formula C16H19N5S and a molecular weight of 313.43 g/mol. Its IUPAC name is 8-methylsulfanyl-2-(piperidin-4-ylmethyl)pyrazolo[4,3-h]quinazoline.

Molecular Properties

Compound Name8-methylsulfanyl-2-(piperidin-4-ylmethyl)pyrazolo[4,3-h]quinazoline
PubChem CID141335519
Molecular FormulaC16H19N5S
Molecular Weight313.43 g/mol
Exact Mass313.14
IUPAC Name8-methylsulfanyl-2-(piperidin-4-ylmethyl)pyrazolo[4,3-h]quinazoline
SMILESCSc1ncc2ccc3cn(CC4CCNCC4)nc3c2n1
InChIInChI=1S/C16H19N5S/c1-22-16-18-8-12-2-3-13-10-21(20-15(13)14(12)19-16)9-11-4-6-17-7-5-11/h2-3,8,10-11,17H,4-7,9H2,1H3
InChIKeyOQIXJIWJQLXKSH-UHFFFAOYSA-N
XLogP2.70
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-methylsulfanyl-2-(piperidin-4-ylmethyl)pyrazolo[4,3-h]quinazoline-3-carboxamide;hydrochloride
CID 67973480
5-bromo-2-(piperidin-4-ylmethyl)indazole
CID 84815226
9-(azepan-3-yl)-2-methylsulfanylpyrrolo[3,2-h]quinazoline
CID 141338717
4-[[4-(2-bromophenyl)-3-methylpyrazol-1-yl]methyl]piperidine
CID 84609955
2-methylsulfanyl-4-(piperidin-4-ylmethylsulfanyl)pyrimidine;hydrochloride
CID 71643270
N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-piperidin-4-ylmethanamine
CID 102536624
N-methyl-2-methylsulfanyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 71643294
4-[1-(cyclohexylmethyl)pyrazol-4-yl]piperidine
CID 122240833
4-[[4-(4-fluorophenoxy)pyrazol-1-yl]methyl]piperidine
CID 115055512
methyl 1-(piperidin-4-ylmethyl)triazole-4-carboxylate
CID 115034482
4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methyl]piperidine
CID 142458257
N-ethyl-1-(piperidin-4-ylmethyl)pyrazole-4-carboxamide
CID 170994982

Frequently Asked Questions

What is the IUPAC name of 8-methylsulfanyl-2-(piperidin-4-ylmethyl)pyrazolo[4,3-h]quinazoline?
The IUPAC name of 8-methylsulfanyl-2-(piperidin-4-ylmethyl)pyrazolo[4,3-h]quinazoline (CID 141335519) is 8-methylsulfanyl-2-(piperidin-4-ylmethyl)pyrazolo[4,3-h]quinazoline.
What is the SMILES notation for 8-methylsulfanyl-2-(piperidin-4-ylmethyl)pyrazolo[4,3-h]quinazoline?
The canonical SMILES for 8-methylsulfanyl-2-(piperidin-4-ylmethyl)pyrazolo[4,3-h]quinazoline is CSc1ncc2ccc3cn(CC4CCNCC4)nc3c2n1.
What is the InChIKey of 8-methylsulfanyl-2-(piperidin-4-ylmethyl)pyrazolo[4,3-h]quinazoline?
The InChIKey is OQIXJIWJQLXKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5S/c1-22-16-18-8-12-2-3-13-10-21(20-15(13)14(12)19-16)9-11-4-6-17-7-5-11/h2-3,8,10-11,17H,4-7,9H2,1H3.
What are the key properties of 8-methylsulfanyl-2-(piperidin-4-ylmethyl)pyrazolo[4,3-h]quinazoline?
8-methylsulfanyl-2-(piperidin-4-ylmethyl)pyrazolo[4,3-h]quinazoline has a molecular weight of 313.43 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylsulfanyl-2-(piperidin-4-ylmethyl)pyrazolo[4,3-h]quinazoline is sourced from PubChem (CID 141335519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).