N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)butane-1-sulfonamide

C12H17N3O2S — CID 90569737

IUPACN-(pyrazolo[1,5-a]pyridin-2-ylmethyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCc1cc2ccccn2n1
InChIInChI=1S/C12H17N3O2S/c1-2-3-8-18(16,17)13-10-11-9-12-6-4-5-7-15(12)14-11/h4-7,9,13H,2-3,8,10H2,1H3
InChIKeySCFNXDLQYCDHCH-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.55
Rot. Bonds6

About N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)butane-1-sulfonamide

N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)butane-1-sulfonamide (PubChem CID 90569737) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(pyrazolo[1,5-a]pyridin-2-ylmethyl)butane-1-sulfonamide
PubChem CID90569737
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC NameN-(pyrazolo[1,5-a]pyridin-2-ylmethyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCc1cc2ccccn2n1
InChIInChI=1S/C12H17N3O2S/c1-2-3-8-18(16,17)13-10-11-9-12-6-4-5-7-15(12)14-11/h4-7,9,13H,2-3,8,10H2,1H3
InChIKeySCFNXDLQYCDHCH-UHFFFAOYSA-N
XLogP1.55
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)butane-1-sulfonamide?
The IUPAC name of N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)butane-1-sulfonamide (CID 90569737) is N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)butane-1-sulfonamide.
What is the SMILES notation for N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)butane-1-sulfonamide?
The canonical SMILES for N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)butane-1-sulfonamide is CCCCS(=O)(=O)NCc1cc2ccccn2n1.
What is the InChIKey of N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)butane-1-sulfonamide?
The InChIKey is SCFNXDLQYCDHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-2-3-8-18(16,17)13-10-11-9-12-6-4-5-7-15(12)14-11/h4-7,9,13H,2-3,8,10H2,1H3.
What are the key properties of N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)butane-1-sulfonamide?
N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)butane-1-sulfonamide has a molecular weight of 267.35 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)butane-1-sulfonamide is sourced from PubChem (CID 90569737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).