3-(benzenesulfonyl)-5-methyl-2-methylsulfanyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine

C19H16N4O2S2 — CID 58357701

IUPAC3-(benzenesulfonyl)-5-methyl-2-methylsulfanyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESCSc1nn2c(-c3ccncc3)cc(C)nc2c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H16N4O2S2/c1-13-12-16(14-8-10-20-11-9-14)23-18(21-13)17(19(22-23)26-2)27(24,25)15-6-4-3-5-7-15/h3-12H,1-2H3
InChIKeyCLKRPDQTTOMPNU-UHFFFAOYSA-N
MW396.50 g/mol
LogP3.65
Rot. Bonds4

About 3-(benzenesulfonyl)-5-methyl-2-methylsulfanyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine

3-(benzenesulfonyl)-5-methyl-2-methylsulfanyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 58357701) has the molecular formula C19H16N4O2S2 and a molecular weight of 396.50 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-5-methyl-2-methylsulfanyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-5-methyl-2-methylsulfanyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
PubChem CID58357701
Molecular FormulaC19H16N4O2S2
Molecular Weight396.50 g/mol
Exact Mass396.07
IUPAC Name3-(benzenesulfonyl)-5-methyl-2-methylsulfanyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESCSc1nn2c(-c3ccncc3)cc(C)nc2c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H16N4O2S2/c1-13-12-16(14-8-10-20-11-9-14)23-18(21-13)17(19(22-23)26-2)27(24,25)15-6-4-3-5-7-15/h3-12H,1-2H3
InChIKeyCLKRPDQTTOMPNU-UHFFFAOYSA-N
XLogP3.65
TPSA77.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Cep-33779
CID 57336812
N-Methyl-(3-phenylsulfonyl)-7,8-dihydro-6H-cyclopenta[e]-pyrazolo[1,5-a]pyrimidin-2-amine
CID 44156628
N-Methyl-(3-phenylsulfonyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazolin-2-amine
CID 44156754
N-Methyl-3-(phenylsulfonyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-amine
CID 46867519
6-[(4-Fluorophenyl)methylsulfanyl]-3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 7190719
N^4^-1H-Indazol-4-YL-N^2^-[3-(methylsulfonyl)phenyl]pyrimidine-2,4-diamine
CID 15980171
10-(Benzenesulfonyl)-11-methylsulfanyl-2-piperazin-1-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 6918479
2-(Methylthio)-3-(phenylsulfonyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline
CID 44155107
5-Methyl-2-methylsulfanyl-3-phenylsulfonyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline
CID 44155109
2-(methylthio)-3-(phenylsulfonyl)-7,8-dihydro-6H-cyclopenta[e]pyrazolo[1,5-a]pyrimidine
CID 44156863
AVN-322 free base
CID 44476436
5-(benzenesulfonyl)-N,8,11-trimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-4-amine
CID 44476514

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-5-methyl-2-methylsulfanyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(benzenesulfonyl)-5-methyl-2-methylsulfanyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine (CID 58357701) is 3-(benzenesulfonyl)-5-methyl-2-methylsulfanyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(benzenesulfonyl)-5-methyl-2-methylsulfanyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(benzenesulfonyl)-5-methyl-2-methylsulfanyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine is CSc1nn2c(-c3ccncc3)cc(C)nc2c1S(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-5-methyl-2-methylsulfanyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is CLKRPDQTTOMPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S2/c1-13-12-16(14-8-10-20-11-9-14)23-18(21-13)17(19(22-23)26-2)27(24,25)15-6-4-3-5-7-15/h3-12H,1-2H3.
What are the key properties of 3-(benzenesulfonyl)-5-methyl-2-methylsulfanyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
3-(benzenesulfonyl)-5-methyl-2-methylsulfanyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 396.50 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-5-methyl-2-methylsulfanyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 58357701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).