N-[7-(1-adamantylmethoxy)-6-ethyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-3-methylazetidine-1-sulfonamide

C23H33N5O3S — CID 123916487

IUPACN-[7-(1-adamantylmethoxy)-6-ethyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-3-methylazetidine-1-sulfonamide
SMILESCCc1cn2c(NS(=O)(=O)N3CC(C)C3)nnc2cc1OCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H33N5O3S/c1-3-19-13-28-21(24-25-22(28)26-32(29,30)27-11-15(2)12-27)7-20(19)31-14-23-8-16-4-17(9-23)6-18(5-16)10-23/h7,13,15-18H,3-6,8-12,14H2,1-2H3,(H,25,26)
InChIKeyHZYZWKLTNDTJBI-UHFFFAOYSA-N
MW459.62 g/mol
LogP3.50
Rot. Bonds7

About N-[7-(1-adamantylmethoxy)-6-ethyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-3-methylazetidine-1-sulfonamide

N-[7-(1-adamantylmethoxy)-6-ethyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-3-methylazetidine-1-sulfonamide (PubChem CID 123916487) has the molecular formula C23H33N5O3S and a molecular weight of 459.62 g/mol. Its IUPAC name is N-[7-(1-adamantylmethoxy)-6-ethyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-3-methylazetidine-1-sulfonamide.

Molecular Properties

Compound NameN-[7-(1-adamantylmethoxy)-6-ethyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-3-methylazetidine-1-sulfonamide
PubChem CID123916487
Molecular FormulaC23H33N5O3S
Molecular Weight459.62 g/mol
Exact Mass459.23
IUPAC NameN-[7-(1-adamantylmethoxy)-6-ethyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-3-methylazetidine-1-sulfonamide
SMILESCCc1cn2c(NS(=O)(=O)N3CC(C)C3)nnc2cc1OCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H33N5O3S/c1-3-19-13-28-21(24-25-22(28)26-32(29,30)27-11-15(2)12-27)7-20(19)31-14-23-8-16-4-17(9-23)6-18(5-16)10-23/h7,13,15-18H,3-6,8-12,14H2,1-2H3,(H,25,26)
InChIKeyHZYZWKLTNDTJBI-UHFFFAOYSA-N
XLogP3.50
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.62
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[7-(1-adamantylmethoxy)-6-ethyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-3-methylazetidine-1-sulfonamide with MolForge

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Related Compounds

N-[6-cyclopropyl-7-[(1-methyl-2-adamantyl)oxy]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanesulfonamide
CID 123465035
1-[4-(1-adamantylmethoxy)-5-ethyl-2-fluorophenyl]ethanone
CID 123713237
N-[7-[2-(2-adamantyl)ethoxy]-6-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanesulfonamide
CID 90461627
7-(1-adamantylmethoxy)-6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 141420513
4-(1-adamantylmethoxy)-5-ethyl-2-fluorobenzoic acid
CID 86702897
N-[7-(1-adamantylmethoxy)-6-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanesulfonamide;N-[7-(1-adamantylmethoxy)-6-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-1,1-difluoromethanesulfonamide;N-[7-(1-adamantylmethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanesulfonamide;N-[6-cyclopropyl-7-[(3,4-dichlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropanesulfonamide;N-[6-cyclopropyl-7-[(3,4-dichlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanesulfonamide;N-[6-cyclopropyl-7-[[1-(trifluoromethyl)cyclopentyl]methoxy]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanesulfonamide
CID 158917480
4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluoro-N-(3-methoxyazetidin-1-yl)sulfonylbenzamide
CID 90016435
2-(1-adamantylmethoxy)benzenesulfonic acid
CID 87413241
N-[6-cyclopropyl-7-[(2,3,3-trimethylcyclohexyl)methoxy]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropanesulfonamide
CID 123530771
N-[6-cyclopropyl-7-[(3-methyl-6-bicyclo[3.2.1]oct-1(7)-enyl)oxy]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropanesulfonamide
CID 126486744
[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorophenyl]-(3-methylpyrrolidin-1-yl)methanone
CID 138699538
4-(1-adamantylmethoxy)-2,5-difluoro-N-methylsulfonylbenzamide
CID 91809327

Frequently Asked Questions

What is the IUPAC name of N-[7-(1-adamantylmethoxy)-6-ethyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-3-methylazetidine-1-sulfonamide?
The IUPAC name of N-[7-(1-adamantylmethoxy)-6-ethyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-3-methylazetidine-1-sulfonamide (CID 123916487) is N-[7-(1-adamantylmethoxy)-6-ethyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-3-methylazetidine-1-sulfonamide.
What is the SMILES notation for N-[7-(1-adamantylmethoxy)-6-ethyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-3-methylazetidine-1-sulfonamide?
The canonical SMILES for N-[7-(1-adamantylmethoxy)-6-ethyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-3-methylazetidine-1-sulfonamide is CCc1cn2c(NS(=O)(=O)N3CC(C)C3)nnc2cc1OCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[7-(1-adamantylmethoxy)-6-ethyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-3-methylazetidine-1-sulfonamide?
The InChIKey is HZYZWKLTNDTJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O3S/c1-3-19-13-28-21(24-25-22(28)26-32(29,30)27-11-15(2)12-27)7-20(19)31-14-23-8-16-4-17(9-23)6-18(5-16)10-23/h7,13,15-18H,3-6,8-12,14H2,1-2H3,(H,25,26).
What are the key properties of N-[7-(1-adamantylmethoxy)-6-ethyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-3-methylazetidine-1-sulfonamide?
N-[7-(1-adamantylmethoxy)-6-ethyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-3-methylazetidine-1-sulfonamide has a molecular weight of 459.62 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(1-adamantylmethoxy)-6-ethyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-3-methylazetidine-1-sulfonamide is sourced from PubChem (CID 123916487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).