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

C19H17N5O2S — CID 58357665

IUPAC3-(benzenesulfonyl)-N,5-dimethyl-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-2-amine
SMILESCNc1nn2c(-c3cccnc3)cc(C)nc2c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H17N5O2S/c1-13-11-16(14-7-6-10-21-12-14)24-19(22-13)17(18(20-2)23-24)27(25,26)15-8-4-3-5-9-15/h3-12H,1-2H3,(H,20,23)
InChIKeyZXEMBLFFTYVRNS-UHFFFAOYSA-N
MW379.45 g/mol
LogP2.97
Rot. Bonds4

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

3-(benzenesulfonyl)-N,5-dimethyl-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-2-amine (PubChem CID 58357665) has the molecular formula C19H17N5O2S and a molecular weight of 379.45 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N,5-dimethyl-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N,5-dimethyl-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-2-amine
PubChem CID58357665
Molecular FormulaC19H17N5O2S
Molecular Weight379.45 g/mol
Exact Mass379.11
IUPAC Name3-(benzenesulfonyl)-N,5-dimethyl-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-2-amine
SMILESCNc1nn2c(-c3cccnc3)cc(C)nc2c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H17N5O2S/c1-13-11-16(14-7-6-10-21-12-14)24-19(22-13)17(18(20-2)23-24)27(25,26)15-8-4-3-5-9-15/h3-12H,1-2H3,(H,20,23)
InChIKeyZXEMBLFFTYVRNS-UHFFFAOYSA-N
XLogP2.97
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N,5-dimethyl-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 3-(benzenesulfonyl)-N,5-dimethyl-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-2-amine (CID 58357665) is 3-(benzenesulfonyl)-N,5-dimethyl-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 3-(benzenesulfonyl)-N,5-dimethyl-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 3-(benzenesulfonyl)-N,5-dimethyl-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-2-amine is CNc1nn2c(-c3cccnc3)cc(C)nc2c1S(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-N,5-dimethyl-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is ZXEMBLFFTYVRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2S/c1-13-11-16(14-7-6-10-21-12-14)24-19(22-13)17(18(20-2)23-24)27(25,26)15-8-4-3-5-9-15/h3-12H,1-2H3,(H,20,23).
What are the key properties of 3-(benzenesulfonyl)-N,5-dimethyl-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-2-amine?
3-(benzenesulfonyl)-N,5-dimethyl-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 379.45 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N,5-dimethyl-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 58357665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).