4-[1-(4-acetylphenyl)sulfonylpiperidin-4-yl]-N,N-diethylpyrazolo[1,5-a]pyridine-2-carboxamide

C25H30N4O4S — CID 139392137

IUPAC4-[1-(4-acetylphenyl)sulfonylpiperidin-4-yl]-N,N-diethylpyrazolo[1,5-a]pyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1cc2c(C3CCN(S(=O)(=O)c4ccc(C(C)=O)cc4)CC3)cccn2n1
InChIInChI=1S/C25H30N4O4S/c1-4-27(5-2)25(31)23-17-24-22(7-6-14-29(24)26-23)20-12-15-28(16-13-20)34(32,33)21-10-8-19(9-11-21)18(3)30/h6-11,14,17,20H,4-5,12-13,15-16H2,1-3H3
InChIKeyUELCIHCJUFHIJS-UHFFFAOYSA-N
MW482.61 g/mol
LogP3.59
Rot. Bonds7

About 4-[1-(4-acetylphenyl)sulfonylpiperidin-4-yl]-N,N-diethylpyrazolo[1,5-a]pyridine-2-carboxamide

4-[1-(4-acetylphenyl)sulfonylpiperidin-4-yl]-N,N-diethylpyrazolo[1,5-a]pyridine-2-carboxamide (PubChem CID 139392137) has the molecular formula C25H30N4O4S and a molecular weight of 482.61 g/mol. Its IUPAC name is 4-[1-(4-acetylphenyl)sulfonylpiperidin-4-yl]-N,N-diethylpyrazolo[1,5-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[1-(4-acetylphenyl)sulfonylpiperidin-4-yl]-N,N-diethylpyrazolo[1,5-a]pyridine-2-carboxamide
PubChem CID139392137
Molecular FormulaC25H30N4O4S
Molecular Weight482.61 g/mol
Exact Mass482.20
IUPAC Name4-[1-(4-acetylphenyl)sulfonylpiperidin-4-yl]-N,N-diethylpyrazolo[1,5-a]pyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1cc2c(C3CCN(S(=O)(=O)c4ccc(C(C)=O)cc4)CC3)cccn2n1
InChIInChI=1S/C25H30N4O4S/c1-4-27(5-2)25(31)23-17-24-22(7-6-14-29(24)26-23)20-12-15-28(16-13-20)34(32,33)21-10-8-19(9-11-21)18(3)30/h6-11,14,17,20H,4-5,12-13,15-16H2,1-3H3
InChIKeyUELCIHCJUFHIJS-UHFFFAOYSA-N
XLogP3.59
TPSA92.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.61
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-acetylphenyl)sulfonylpiperidin-4-yl]-N,N-diethylpyrazolo[1,5-a]pyridine-2-carboxamide?
The IUPAC name of 4-[1-(4-acetylphenyl)sulfonylpiperidin-4-yl]-N,N-diethylpyrazolo[1,5-a]pyridine-2-carboxamide (CID 139392137) is 4-[1-(4-acetylphenyl)sulfonylpiperidin-4-yl]-N,N-diethylpyrazolo[1,5-a]pyridine-2-carboxamide.
What is the SMILES notation for 4-[1-(4-acetylphenyl)sulfonylpiperidin-4-yl]-N,N-diethylpyrazolo[1,5-a]pyridine-2-carboxamide?
The canonical SMILES for 4-[1-(4-acetylphenyl)sulfonylpiperidin-4-yl]-N,N-diethylpyrazolo[1,5-a]pyridine-2-carboxamide is CCN(CC)C(=O)c1cc2c(C3CCN(S(=O)(=O)c4ccc(C(C)=O)cc4)CC3)cccn2n1.
What is the InChIKey of 4-[1-(4-acetylphenyl)sulfonylpiperidin-4-yl]-N,N-diethylpyrazolo[1,5-a]pyridine-2-carboxamide?
The InChIKey is UELCIHCJUFHIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4S/c1-4-27(5-2)25(31)23-17-24-22(7-6-14-29(24)26-23)20-12-15-28(16-13-20)34(32,33)21-10-8-19(9-11-21)18(3)30/h6-11,14,17,20H,4-5,12-13,15-16H2,1-3H3.
What are the key properties of 4-[1-(4-acetylphenyl)sulfonylpiperidin-4-yl]-N,N-diethylpyrazolo[1,5-a]pyridine-2-carboxamide?
4-[1-(4-acetylphenyl)sulfonylpiperidin-4-yl]-N,N-diethylpyrazolo[1,5-a]pyridine-2-carboxamide has a molecular weight of 482.61 g/mol, XLogP of 3.59, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-acetylphenyl)sulfonylpiperidin-4-yl]-N,N-diethylpyrazolo[1,5-a]pyridine-2-carboxamide is sourced from PubChem (CID 139392137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).