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

C24H28N4O4S — CID 50848733

IUPAC[5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(S(=O)(=O)N2CCC(c3ccn4ncc(C(=O)N5CCOCC5)c4c3)CC2)cc1
InChIInChI=1S/C24H28N4O4S/c1-18-2-4-21(5-3-18)33(30,31)27-9-6-19(7-10-27)20-8-11-28-23(16-20)22(17-25-28)24(29)26-12-14-32-15-13-26/h2-5,8,11,16-17,19H,6-7,9-10,12-15H2,1H3
InChIKeyORZGGKHDDNGZNZ-UHFFFAOYSA-N
MW468.58 g/mol
LogP2.68
Rot. Bonds4

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

[5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-morpholin-4-ylmethanone (PubChem CID 50848733) has the molecular formula C24H28N4O4S and a molecular weight of 468.58 g/mol. Its IUPAC name is [5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-morpholin-4-ylmethanone
PubChem CID50848733
Molecular FormulaC24H28N4O4S
Molecular Weight468.58 g/mol
Exact Mass468.18
IUPAC Name[5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(S(=O)(=O)N2CCC(c3ccn4ncc(C(=O)N5CCOCC5)c4c3)CC2)cc1
InChIInChI=1S/C24H28N4O4S/c1-18-2-4-21(5-3-18)33(30,31)27-9-6-19(7-10-27)20-8-11-28-23(16-20)22(17-25-28)24(29)26-12-14-32-15-13-26/h2-5,8,11,16-17,19H,6-7,9-10,12-15H2,1H3
InChIKeyORZGGKHDDNGZNZ-UHFFFAOYSA-N
XLogP2.68
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-morpholin-4-ylmethanone (CID 50848733) is [5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-morpholin-4-ylmethanone is Cc1ccc(S(=O)(=O)N2CCC(c3ccn4ncc(C(=O)N5CCOCC5)c4c3)CC2)cc1.
What is the InChIKey of [5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is ORZGGKHDDNGZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4S/c1-18-2-4-21(5-3-18)33(30,31)27-9-6-19(7-10-27)20-8-11-28-23(16-20)22(17-25-28)24(29)26-12-14-32-15-13-26/h2-5,8,11,16-17,19H,6-7,9-10,12-15H2,1H3.
What are the key properties of [5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-morpholin-4-ylmethanone?
[5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 468.58 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 50848733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).