1-[3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl]piperidine-4-sulfonamide

C16H23N5O4S — CID 163314332

IUPAC1-[3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl]piperidine-4-sulfonamide
SMILESCC(C)C(O)c1nnc2ccc(C(=O)N3CCC(S(N)(=O)=O)CC3)cn12
InChIInChI=1S/C16H23N5O4S/c1-10(2)14(22)15-19-18-13-4-3-11(9-21(13)15)16(23)20-7-5-12(6-8-20)26(17,24)25/h3-4,9-10,12,14,22H,5-8H2,1-2H3,(H2,17,24,25)
InChIKeyCGGOBYRXJPIBDV-UHFFFAOYSA-N
MW381.46 g/mol
LogP0.31
Rot. Bonds4

About 1-[3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl]piperidine-4-sulfonamide

1-[3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl]piperidine-4-sulfonamide (PubChem CID 163314332) has the molecular formula C16H23N5O4S and a molecular weight of 381.46 g/mol. Its IUPAC name is 1-[3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl]piperidine-4-sulfonamide.

Molecular Properties

Compound Name1-[3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl]piperidine-4-sulfonamide
PubChem CID163314332
Molecular FormulaC16H23N5O4S
Molecular Weight381.46 g/mol
Exact Mass381.15
IUPAC Name1-[3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl]piperidine-4-sulfonamide
SMILESCC(C)C(O)c1nnc2ccc(C(=O)N3CCC(S(N)(=O)=O)CC3)cn12
InChIInChI=1S/C16H23N5O4S/c1-10(2)14(22)15-19-18-13-4-3-11(9-21(13)15)16(23)20-7-5-12(6-8-20)26(17,24)25/h3-4,9-10,12,14,22H,5-8H2,1-2H3,(H2,17,24,25)
InChIKeyCGGOBYRXJPIBDV-UHFFFAOYSA-N
XLogP0.31
TPSA130.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl]piperidine-4-sulfonamide with MolForge

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Related Compounds

[3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 156585288
[3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 156585343
[3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
CID 157016211
[3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-[(1S,5R)-spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-4'-yl]methanone
CID 157017269
[3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
CID 162631560
N-(1-carbamoylcyclopentyl)-3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 162628528
1-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)piperidine-4-carboxylic acid
CID 84614360
ethyl 1-[3-(1H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl]piperidine-4-carboxylate
CID 137291244
3-(1-hydroxy-2-methylpropyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 156583876
(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-thiomorpholin-4-ylmethanone
CID 97211527
N-(1,3-benzodioxol-5-ylmethyl)-3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 156585763
methyl 3-(3-methylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 115384703

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl]piperidine-4-sulfonamide?
The IUPAC name of 1-[3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl]piperidine-4-sulfonamide (CID 163314332) is 1-[3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl]piperidine-4-sulfonamide.
What is the SMILES notation for 1-[3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl]piperidine-4-sulfonamide?
The canonical SMILES for 1-[3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl]piperidine-4-sulfonamide is CC(C)C(O)c1nnc2ccc(C(=O)N3CCC(S(N)(=O)=O)CC3)cn12.
What is the InChIKey of 1-[3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl]piperidine-4-sulfonamide?
The InChIKey is CGGOBYRXJPIBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O4S/c1-10(2)14(22)15-19-18-13-4-3-11(9-21(13)15)16(23)20-7-5-12(6-8-20)26(17,24)25/h3-4,9-10,12,14,22H,5-8H2,1-2H3,(H2,17,24,25).
What are the key properties of 1-[3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl]piperidine-4-sulfonamide?
1-[3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl]piperidine-4-sulfonamide has a molecular weight of 381.46 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl]piperidine-4-sulfonamide is sourced from PubChem (CID 163314332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).