[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone

C20H20N4O3S — CID 71797920

IUPAC[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
SMILESO=C(c1cnn2ccccc12)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C20H20N4O3S/c25-20(18-16-21-24-10-5-4-8-19(18)24)22-11-13-23(14-12-22)28(26,27)15-9-17-6-2-1-3-7-17/h1-10,15-16H,11-14H2/b15-9+
InChIKeyNBAFIKUOJNXNSF-OQLLNIDSSA-N
MW396.47 g/mol
LogP2.09
Rot. Bonds4

About [4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone

[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone (PubChem CID 71797920) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is [4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
PubChem CID71797920
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC Name[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
SMILESO=C(c1cnn2ccccc12)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C20H20N4O3S/c25-20(18-16-21-24-10-5-4-8-19(18)24)22-11-13-23(14-12-22)28(26,27)15-9-17-6-2-1-3-7-17/h1-10,15-16H,11-14H2/b15-9+
InChIKeyNBAFIKUOJNXNSF-OQLLNIDSSA-N
XLogP2.09
TPSA74.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone?
The IUPAC name of [4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone (CID 71797920) is [4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone.
What is the SMILES notation for [4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone?
The canonical SMILES for [4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone is O=C(c1cnn2ccccc12)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1.
What is the InChIKey of [4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone?
The InChIKey is NBAFIKUOJNXNSF-OQLLNIDSSA-N. The full InChI is InChI=1S/C20H20N4O3S/c25-20(18-16-21-24-10-5-4-8-19(18)24)22-11-13-23(14-12-22)28(26,27)15-9-17-6-2-1-3-7-17/h1-10,15-16H,11-14H2/b15-9+.
What are the key properties of [4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone?
[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone has a molecular weight of 396.47 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone is sourced from PubChem (CID 71797920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).