3-(benzenesulfonyl)-7-methoxy-N-methyl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-2-amine

C19H17N5O3S — CID 58357768

IUPAC3-(benzenesulfonyl)-7-methoxy-N-methyl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-2-amine
SMILESCNc1nn2c(OC)cc(-c3cccnc3)nc2c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H17N5O3S/c1-20-18-17(28(25,26)14-8-4-3-5-9-14)19-22-15(13-7-6-10-21-12-13)11-16(27-2)24(19)23-18/h3-12H,1-2H3,(H,20,23)
InChIKeyRQGZCEUPKJEOAP-UHFFFAOYSA-N
MW395.44 g/mol
LogP2.67
Rot. Bonds5

About 3-(benzenesulfonyl)-7-methoxy-N-methyl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-2-amine

3-(benzenesulfonyl)-7-methoxy-N-methyl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-2-amine (PubChem CID 58357768) has the molecular formula C19H17N5O3S and a molecular weight of 395.44 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-7-methoxy-N-methyl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-7-methoxy-N-methyl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-2-amine
PubChem CID58357768
Molecular FormulaC19H17N5O3S
Molecular Weight395.44 g/mol
Exact Mass395.11
IUPAC Name3-(benzenesulfonyl)-7-methoxy-N-methyl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-2-amine
SMILESCNc1nn2c(OC)cc(-c3cccnc3)nc2c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H17N5O3S/c1-20-18-17(28(25,26)14-8-4-3-5-9-14)19-22-15(13-7-6-10-21-12-13)11-16(27-2)24(19)23-18/h3-12H,1-2H3,(H,20,23)
InChIKeyRQGZCEUPKJEOAP-UHFFFAOYSA-N
XLogP2.67
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-7-methoxy-N-methyl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 3-(benzenesulfonyl)-7-methoxy-N-methyl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-2-amine (CID 58357768) is 3-(benzenesulfonyl)-7-methoxy-N-methyl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 3-(benzenesulfonyl)-7-methoxy-N-methyl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 3-(benzenesulfonyl)-7-methoxy-N-methyl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-2-amine is CNc1nn2c(OC)cc(-c3cccnc3)nc2c1S(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-7-methoxy-N-methyl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is RQGZCEUPKJEOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3S/c1-20-18-17(28(25,26)14-8-4-3-5-9-14)19-22-15(13-7-6-10-21-12-13)11-16(27-2)24(19)23-18/h3-12H,1-2H3,(H,20,23).
What are the key properties of 3-(benzenesulfonyl)-7-methoxy-N-methyl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-2-amine?
3-(benzenesulfonyl)-7-methoxy-N-methyl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 395.44 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-7-methoxy-N-methyl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 58357768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).