4-[3-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]sulfonylmorpholine

C24H24N4O5S — CID 162646279

IUPAC4-[3-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]sulfonylmorpholine
SMILESCOc1ccc(-c2nnc3ccc(-c4cccc(S(=O)(=O)N5CCOCC5)c4)cn23)cc1OC
InChIInChI=1S/C24H24N4O5S/c1-31-21-8-6-18(15-22(21)32-2)24-26-25-23-9-7-19(16-28(23)24)17-4-3-5-20(14-17)34(29,30)27-10-12-33-13-11-27/h3-9,14-16H,10-13H2,1-2H3
InChIKeyVIMMRDAPLQXECH-UHFFFAOYSA-N
MW480.55 g/mol
LogP3.10
Rot. Bonds6

About 4-[3-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]sulfonylmorpholine

4-[3-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]sulfonylmorpholine (PubChem CID 162646279) has the molecular formula C24H24N4O5S and a molecular weight of 480.55 g/mol. Its IUPAC name is 4-[3-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[3-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]sulfonylmorpholine
PubChem CID162646279
Molecular FormulaC24H24N4O5S
Molecular Weight480.55 g/mol
Exact Mass480.15
IUPAC Name4-[3-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]sulfonylmorpholine
SMILESCOc1ccc(-c2nnc3ccc(-c4cccc(S(=O)(=O)N5CCOCC5)c4)cn23)cc1OC
InChIInChI=1S/C24H24N4O5S/c1-31-21-8-6-18(15-22(21)32-2)24-26-25-23-9-7-19(16-28(23)24)17-4-3-5-20(14-17)34(29,30)27-10-12-33-13-11-27/h3-9,14-16H,10-13H2,1-2H3
InChIKeyVIMMRDAPLQXECH-UHFFFAOYSA-N
XLogP3.10
TPSA95.26 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.55
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[2-[4-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyrazol-1-yl]ethyl]morpholine
CID 162645311
4-(4-methoxy-3-methylphenyl)sulfonylmorpholine
CID 847008
4-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenyl]sulfonylmorpholine
CID 4094415
4-[5-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]sulfonylmorpholine
CID 53098016
4-[3-[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]sulfonylmorpholine
CID 162651764
4-[6-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
CID 50806875
4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylmorpholine
CID 53042642
4-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]sulfonylmorpholine
CID 4152869
4-[3-[4-[(2R)-butan-2-yl]-5-methylsulfanyl-1,2,4-triazol-3-yl]phenyl]sulfonylmorpholine
CID 9100870
(2S)-2-(3,4-dimethoxyanilino)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 41070554
2-[[4-(2-methylpropyl)-5-(3-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 2078832
4-(4-ethyl-3-methoxyphenyl)sulfonylmorpholine
CID 166828516

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]sulfonylmorpholine?
The IUPAC name of 4-[3-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]sulfonylmorpholine (CID 162646279) is 4-[3-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[3-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[3-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]sulfonylmorpholine is COc1ccc(-c2nnc3ccc(-c4cccc(S(=O)(=O)N5CCOCC5)c4)cn23)cc1OC.
What is the InChIKey of 4-[3-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]sulfonylmorpholine?
The InChIKey is VIMMRDAPLQXECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O5S/c1-31-21-8-6-18(15-22(21)32-2)24-26-25-23-9-7-19(16-28(23)24)17-4-3-5-20(14-17)34(29,30)27-10-12-33-13-11-27/h3-9,14-16H,10-13H2,1-2H3.
What are the key properties of 4-[3-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]sulfonylmorpholine?
4-[3-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]sulfonylmorpholine has a molecular weight of 480.55 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]sulfonylmorpholine is sourced from PubChem (CID 162646279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).