[5-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-morpholin-4-ylmethanone

C22H28N6O4S — CID 50848636

IUPAC[5-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-morpholin-4-ylmethanone
SMILESCc1nc(S(=O)(=O)N2CCC(c3ccn4ncc(C(=O)N5CCOCC5)c4c3)CC2)cn1C
InChIInChI=1S/C22H28N6O4S/c1-16-24-21(15-25(16)2)33(30,31)27-6-3-17(4-7-27)18-5-8-28-20(13-18)19(14-23-28)22(29)26-9-11-32-12-10-26/h5,8,13-15,17H,3-4,6-7,9-12H2,1-2H3
InChIKeyNVTBVRSWEOQORY-UHFFFAOYSA-N
MW472.57 g/mol
LogP1.42
Rot. Bonds4

About [5-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-morpholin-4-ylmethanone

[5-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-morpholin-4-ylmethanone (PubChem CID 50848636) has the molecular formula C22H28N6O4S and a molecular weight of 472.57 g/mol. Its IUPAC name is [5-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-morpholin-4-ylmethanone
PubChem CID50848636
Molecular FormulaC22H28N6O4S
Molecular Weight472.57 g/mol
Exact Mass472.19
IUPAC Name[5-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-morpholin-4-ylmethanone
SMILESCc1nc(S(=O)(=O)N2CCC(c3ccn4ncc(C(=O)N5CCOCC5)c4c3)CC2)cn1C
InChIInChI=1S/C22H28N6O4S/c1-16-24-21(15-25(16)2)33(30,31)27-6-3-17(4-7-27)18-5-8-28-20(13-18)19(14-23-28)22(29)26-9-11-32-12-10-26/h5,8,13-15,17H,3-4,6-7,9-12H2,1-2H3
InChIKeyNVTBVRSWEOQORY-UHFFFAOYSA-N
XLogP1.42
TPSA102.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-morpholin-4-ylmethanone
CID 50848733
[5-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-morpholin-4-ylmethanone
CID 50849025
[5-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-morpholin-4-ylmethanone
CID 50848962
[5-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-morpholin-4-ylmethanone
CID 50848671
1-[4-[3-(morpholine-4-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]propan-1-one
CID 50848848
(3,4-dimethylphenyl)-[4-[3-(morpholine-4-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
CID 50849106
(4-chlorophenyl)-[4-[3-(morpholine-4-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
CID 50848975
(2-bromophenyl)-[4-[3-(morpholine-4-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
CID 50849007
azepan-1-yl-[5-[1-(benzenesulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]methanone
CID 160628943
[3-(dimethylamino)phenyl]-[4-[3-(morpholine-4-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
CID 50848976
[5-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 50848895
[5-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-pyrrolidin-1-ylmethanone
CID 50849086

Frequently Asked Questions

What is the IUPAC name of [5-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-morpholin-4-ylmethanone (CID 50848636) is [5-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-morpholin-4-ylmethanone is Cc1nc(S(=O)(=O)N2CCC(c3ccn4ncc(C(=O)N5CCOCC5)c4c3)CC2)cn1C.
What is the InChIKey of [5-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is NVTBVRSWEOQORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O4S/c1-16-24-21(15-25(16)2)33(30,31)27-6-3-17(4-7-27)18-5-8-28-20(13-18)19(14-23-28)22(29)26-9-11-32-12-10-26/h5,8,13-15,17H,3-4,6-7,9-12H2,1-2H3.
What are the key properties of [5-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-morpholin-4-ylmethanone?
[5-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 472.57 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 50848636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).