4-[5-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzenesulfonamide

C18H16N6O2S — CID 155548639

IUPAC4-[5-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cnn3ccc(NCc4ccncc4)nc23)cc1
InChIInChI=1S/C18H16N6O2S/c19-27(25,26)15-3-1-14(2-4-15)16-12-22-24-10-7-17(23-18(16)24)21-11-13-5-8-20-9-6-13/h1-10,12H,11H2,(H,21,23)(H2,19,25,26)
InChIKeyCUGSFKUBVGCXLB-UHFFFAOYSA-N
MW380.43 g/mol
LogP2.05
Rot. Bonds5

About 4-[5-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzenesulfonamide

4-[5-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzenesulfonamide (PubChem CID 155548639) has the molecular formula C18H16N6O2S and a molecular weight of 380.43 g/mol. Its IUPAC name is 4-[5-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzenesulfonamide
PubChem CID155548639
Molecular FormulaC18H16N6O2S
Molecular Weight380.43 g/mol
Exact Mass380.11
IUPAC Name4-[5-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cnn3ccc(NCc4ccncc4)nc23)cc1
InChIInChI=1S/C18H16N6O2S/c19-27(25,26)15-3-1-14(2-4-15)16-12-22-24-10-7-17(23-18(16)24)21-11-13-5-8-20-9-6-13/h1-10,12H,11H2,(H,21,23)(H2,19,25,26)
InChIKeyCUGSFKUBVGCXLB-UHFFFAOYSA-N
XLogP2.05
TPSA115.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzenesulfonamide (CID 155548639) is 4-[5-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2cnn3ccc(NCc4ccncc4)nc23)cc1.
What is the InChIKey of 4-[5-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzenesulfonamide?
The InChIKey is CUGSFKUBVGCXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O2S/c19-27(25,26)15-3-1-14(2-4-15)16-12-22-24-10-7-17(23-18(16)24)21-11-13-5-8-20-9-6-13/h1-10,12H,11H2,(H,21,23)(H2,19,25,26).
What are the key properties of 4-[5-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzenesulfonamide?
4-[5-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzenesulfonamide has a molecular weight of 380.43 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 155548639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).