7-methylsulfanyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine

C24H32N8S2 — CID 160529095

IUPAC7-methylsulfanyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine
SMILESCSc1cc(C2CCCNC2)nc2ccnn12.CSc1cc(C2CCCNC2)nc2ccnn12
InChIInChI=1S/2C12H16N4S/c2*1-17-12-7-10(9-3-2-5-13-8-9)15-11-4-6-14-16(11)12/h2*4,6-7,9,13H,2-3,5,8H2,1H3
InChIKeyQVHJNNKFBKHRFF-UHFFFAOYSA-N
MW496.71 g/mol
LogP3.84
Rot. Bonds4

About 7-methylsulfanyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine

7-methylsulfanyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 160529095) has the molecular formula C24H32N8S2 and a molecular weight of 496.71 g/mol. Its IUPAC name is 7-methylsulfanyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-methylsulfanyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine
PubChem CID160529095
Molecular FormulaC24H32N8S2
Molecular Weight496.71 g/mol
Exact Mass496.22
IUPAC Name7-methylsulfanyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine
SMILESCSc1cc(C2CCCNC2)nc2ccnn12.CSc1cc(C2CCCNC2)nc2ccnn12
InChIInChI=1S/2C12H16N4S/c2*1-17-12-7-10(9-3-2-5-13-8-9)15-11-4-6-14-16(11)12/h2*4,6-7,9,13H,2-3,5,8H2,1H3
InChIKeyQVHJNNKFBKHRFF-UHFFFAOYSA-N
XLogP3.84
TPSA84.44 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.71
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 7-methylsulfanyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 3-(7-methylsulfanylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;7-methylsulfanyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine
CID 157052045
benzyl 3-(7-methylsulfanylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;7-methylsulfanyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine
CID 157155661
5-methylsulfanyl-7-piperidin-3-yl-[1,2,4]triazolo[1,5-c]pyrimidine
CID 82382973
tert-butyl 3-(7-methylsulfanylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;5-cyclohexyl-7-methylsulfanylpyrazolo[1,5-a]pyrimidine
CID 158331380
2-(4-fluorophenyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 110214014
N,N-dimethyl-4-piperidin-3-ylpyrimidin-2-amine
CID 66509672
N-(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)-1,3-thiazol-2-amine
CID 66509318
7-methyl-2-piperidin-3-ylpyrido[1,2-a]pyrimidin-4-one
CID 115054664
5-piperidin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 115030706
5-(2-fluorophenyl)-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride
CID 154893939
2,6-dimethyl-3-piperidin-3-ylpyridine
CID 82603619
3-[3,4-bis(methylsulfanyl)phenyl]piperidine
CID 117386847

Frequently Asked Questions

What is the IUPAC name of 7-methylsulfanyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-methylsulfanyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine (CID 160529095) is 7-methylsulfanyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-methylsulfanyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-methylsulfanyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine is CSc1cc(C2CCCNC2)nc2ccnn12.CSc1cc(C2CCCNC2)nc2ccnn12.
What is the InChIKey of 7-methylsulfanyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is QVHJNNKFBKHRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H16N4S/c2*1-17-12-7-10(9-3-2-5-13-8-9)15-11-4-6-14-16(11)12/h2*4,6-7,9,13H,2-3,5,8H2,1H3.
What are the key properties of 7-methylsulfanyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine?
7-methylsulfanyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 496.71 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylsulfanyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 160529095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).