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

C20H22N4O5S — CID 71797913

IUPAC[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3cnn4ccccc34)CC2)c1
InChIInChI=1S/C20H22N4O5S/c1-28-15-6-7-18(29-2)19(13-15)30(26,27)23-11-9-22(10-12-23)20(25)16-14-21-24-8-4-3-5-17(16)24/h3-8,13-14H,9-12H2,1-2H3
InChIKeyFZPJQBVCCLPAQD-UHFFFAOYSA-N
MW430.49 g/mol
LogP1.50
Rot. Bonds5

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

[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone (PubChem CID 71797913) has the molecular formula C20H22N4O5S and a molecular weight of 430.49 g/mol. Its IUPAC name is [4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
PubChem CID71797913
Molecular FormulaC20H22N4O5S
Molecular Weight430.49 g/mol
Exact Mass430.13
IUPAC Name[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3cnn4ccccc34)CC2)c1
InChIInChI=1S/C20H22N4O5S/c1-28-15-6-7-18(29-2)19(13-15)30(26,27)23-11-9-22(10-12-23)20(25)16-14-21-24-8-4-3-5-17(16)24/h3-8,13-14H,9-12H2,1-2H3
InChIKeyFZPJQBVCCLPAQD-UHFFFAOYSA-N
XLogP1.50
TPSA93.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(2-methylphenyl)methanone
CID 41499008
(6-methoxy-1H-indol-2-yl)-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 71797895
[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(2-methyl-3-nitrophenyl)methanone
CID 26419260
[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 110328605
[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 110646198
2-[4-(2,4-dimethoxyphenyl)sulfonylpiperazine-1-carbonyl]benzoate
CID 2051902
[4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 70770006
1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-phenylsulfanylethanone
CID 41498831
[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
CID 119692273
1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-(3-hydroxyphenoxy)ethanone
CID 2051838
2-(2-chlorophenoxy)-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethanone
CID 26419289
(1-aminocyclopropyl)-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride
CID 119692262

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone?
The IUPAC name of [4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone (CID 71797913) is [4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone.
What is the SMILES notation for [4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone?
The canonical SMILES for [4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone is COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3cnn4ccccc34)CC2)c1.
What is the InChIKey of [4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone?
The InChIKey is FZPJQBVCCLPAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O5S/c1-28-15-6-7-18(29-2)19(13-15)30(26,27)23-11-9-22(10-12-23)20(25)16-14-21-24-8-4-3-5-17(16)24/h3-8,13-14H,9-12H2,1-2H3.
What are the key properties of [4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone?
[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone has a molecular weight of 430.49 g/mol, XLogP of 1.50, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone is sourced from PubChem (CID 71797913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).