[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone

C20H22N4O4S — CID 71797911

IUPAC[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3cnn4ccccc34)CC2)cc1C
InChIInChI=1S/C20H22N4O4S/c1-15-13-16(6-7-19(15)28-2)29(26,27)23-11-9-22(10-12-23)20(25)17-14-21-24-8-4-3-5-18(17)24/h3-8,13-14H,9-12H2,1-2H3
InChIKeyCBBYPCQZMZAKFI-UHFFFAOYSA-N
MW414.49 g/mol
LogP1.80
Rot. Bonds4

About [4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone

[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone (PubChem CID 71797911) has the molecular formula C20H22N4O4S and a molecular weight of 414.49 g/mol. Its IUPAC name is [4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
PubChem CID71797911
Molecular FormulaC20H22N4O4S
Molecular Weight414.49 g/mol
Exact Mass414.14
IUPAC Name[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3cnn4ccccc34)CC2)cc1C
InChIInChI=1S/C20H22N4O4S/c1-15-13-16(6-7-19(15)28-2)29(26,27)23-11-9-22(10-12-23)20(25)17-14-21-24-8-4-3-5-18(17)24/h3-8,13-14H,9-12H2,1-2H3
InChIKeyCBBYPCQZMZAKFI-UHFFFAOYSA-N
XLogP1.80
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(4-methoxy-3-methylphenyl)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-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone?
The IUPAC name of [4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone (CID 71797911) is [4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone.
What is the SMILES notation for [4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone?
The canonical SMILES for [4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone is COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cnn4ccccc34)CC2)cc1C.
What is the InChIKey of [4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone?
The InChIKey is CBBYPCQZMZAKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S/c1-15-13-16(6-7-19(15)28-2)29(26,27)23-11-9-22(10-12-23)20(25)17-14-21-24-8-4-3-5-18(17)24/h3-8,13-14H,9-12H2,1-2H3.
What are the key properties of [4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone?
[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone has a molecular weight of 414.49 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone is sourced from PubChem (CID 71797911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).