5-methyl-2-methylsulfanyl-3-naphthalen-2-ylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine

C18H16N4O2S2 — CID 21255042

IUPAC5-methyl-2-methylsulfanyl-3-naphthalen-2-ylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCSc1nn2c(N)cc(C)nc2c1S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H16N4O2S2/c1-11-9-15(19)22-17(20-11)16(18(21-22)25-2)26(23,24)14-8-7-12-5-3-4-6-13(12)10-14/h3-10H,19H2,1-2H3
InChIKeyWTLHPKQGVWVPFJ-UHFFFAOYSA-N
MW384.49 g/mol
LogP3.33
Rot. Bonds3

About 5-methyl-2-methylsulfanyl-3-naphthalen-2-ylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine

5-methyl-2-methylsulfanyl-3-naphthalen-2-ylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 21255042) has the molecular formula C18H16N4O2S2 and a molecular weight of 384.49 g/mol. Its IUPAC name is 5-methyl-2-methylsulfanyl-3-naphthalen-2-ylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-methyl-2-methylsulfanyl-3-naphthalen-2-ylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID21255042
Molecular FormulaC18H16N4O2S2
Molecular Weight384.49 g/mol
Exact Mass384.07
IUPAC Name5-methyl-2-methylsulfanyl-3-naphthalen-2-ylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCSc1nn2c(N)cc(C)nc2c1S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H16N4O2S2/c1-11-9-15(19)22-17(20-11)16(18(21-22)25-2)26(23,24)14-8-7-12-5-3-4-6-13(12)10-14/h3-10H,19H2,1-2H3
InChIKeyWTLHPKQGVWVPFJ-UHFFFAOYSA-N
XLogP3.33
TPSA90.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.49
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-methylsulfanyl-3-naphthalen-2-ylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-methyl-2-methylsulfanyl-3-naphthalen-2-ylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine (CID 21255042) is 5-methyl-2-methylsulfanyl-3-naphthalen-2-ylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-methyl-2-methylsulfanyl-3-naphthalen-2-ylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-methyl-2-methylsulfanyl-3-naphthalen-2-ylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine is CSc1nn2c(N)cc(C)nc2c1S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of 5-methyl-2-methylsulfanyl-3-naphthalen-2-ylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is WTLHPKQGVWVPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2S2/c1-11-9-15(19)22-17(20-11)16(18(21-22)25-2)26(23,24)14-8-7-12-5-3-4-6-13(12)10-14/h3-10H,19H2,1-2H3.
What are the key properties of 5-methyl-2-methylsulfanyl-3-naphthalen-2-ylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine?
5-methyl-2-methylsulfanyl-3-naphthalen-2-ylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 384.49 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-methylsulfanyl-3-naphthalen-2-ylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 21255042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).