methyl 4-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]sulfonylbenzoate

C20H20N4O5S — CID 71797926

IUPACmethyl 4-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]sulfonylbenzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cnn4ccccc34)CC2)cc1
InChIInChI=1S/C20H20N4O5S/c1-29-20(26)15-5-7-16(8-6-15)30(27,28)23-12-10-22(11-13-23)19(25)17-14-21-24-9-3-2-4-18(17)24/h2-9,14H,10-13H2,1H3
InChIKeyLOSGGERKINQHBB-UHFFFAOYSA-N
MW428.47 g/mol
LogP1.27
Rot. Bonds4

About methyl 4-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]sulfonylbenzoate

methyl 4-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]sulfonylbenzoate (PubChem CID 71797926) has the molecular formula C20H20N4O5S and a molecular weight of 428.47 g/mol. Its IUPAC name is methyl 4-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]sulfonylbenzoate.

Molecular Properties

Compound Namemethyl 4-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]sulfonylbenzoate
PubChem CID71797926
Molecular FormulaC20H20N4O5S
Molecular Weight428.47 g/mol
Exact Mass428.12
IUPAC Namemethyl 4-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]sulfonylbenzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cnn4ccccc34)CC2)cc1
InChIInChI=1S/C20H20N4O5S/c1-29-20(26)15-5-7-16(8-6-15)30(27,28)23-12-10-22(11-13-23)19(25)17-14-21-24-9-3-2-4-18(17)24/h2-9,14H,10-13H2,1H3
InChIKeyLOSGGERKINQHBB-UHFFFAOYSA-N
XLogP1.27
TPSA101.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 4-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]sulfonylbenzoate with MolForge

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Related Compounds

Ethyl 4-[4-(pyridine-2-carbonyl)piperazin-1-yl]sulfonylbenzoate
CID 2107828
methyl 3-[[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-methylsulfamoyl]-4-methylbenzoate
CID 25172274
US10308605, Example 157
CID 146047777
(4-((2-Fluorophenyl)sulfonyl)piperazin-1-yl)(pyrazolo[1,5-a]pyridin-3-yl)methanone
CID 71797921
(E)-pyrazolo[1,5-a]pyridin-3-yl(4-(styrylsulfonyl)piperazin-1-yl)methanone
CID 71797920
Methyl 2-[(2-pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)sulfonyl]benzoate
CID 53165242
Methyl 2-{[2-(pyridin-3-YL)-4H,5H,6H,7H,8H-pyrazolo[1,5-A][1,4]diazepin-5-YL]sulfonyl}benzoate
CID 53165252
4-(piperidin-1-ylsulfonyl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)benzamide
CID 71790720
methyl 4-(N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)sulfamoyl)benzoate
CID 71790799
ethyl 5-(4-(N,N-dimethylsulfamoyl)benzamido)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 71797800
Ethyl 5-(1-(methylsulfonyl)piperidine-4-carboxamido)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 71797810
Methyl 4-(4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazine-1-carbonyl)benzoate
CID 71797842

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]sulfonylbenzoate?
The IUPAC name of methyl 4-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]sulfonylbenzoate (CID 71797926) is methyl 4-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]sulfonylbenzoate.
What is the SMILES notation for methyl 4-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]sulfonylbenzoate?
The canonical SMILES for methyl 4-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]sulfonylbenzoate is COC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cnn4ccccc34)CC2)cc1.
What is the InChIKey of methyl 4-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]sulfonylbenzoate?
The InChIKey is LOSGGERKINQHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O5S/c1-29-20(26)15-5-7-16(8-6-15)30(27,28)23-12-10-22(11-13-23)19(25)17-14-21-24-9-3-2-4-18(17)24/h2-9,14H,10-13H2,1H3.
What are the key properties of methyl 4-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]sulfonylbenzoate?
methyl 4-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]sulfonylbenzoate has a molecular weight of 428.47 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]sulfonylbenzoate is sourced from PubChem (CID 71797926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).