5-[4-(7-chloro-2,5,8-trideuterio-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-2-methyl-1,3-oxazole

C15H16ClN5O3S — CID 162361028

IUPAC5-[4-(7-chloro-2,5,8-trideuterio-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-2-methyl-1,3-oxazole
SMILES[2H]c1nc2c([2H])c(Cl)c(C3CCN(S(=O)(=O)c4cnc(C)o4)CC3)c([2H])n2n1
InChIInChI=1S/C15H16ClN5O3S/c1-10-17-7-15(24-10)25(22,23)20-4-2-11(3-5-20)12-8-21-14(6-13(12)16)18-9-19-21/h6-9,11H,2-5H2,1H3/i6D,8D,9D
InChIKeyURAUBDCJGRESTK-VCNSICBKSA-N
MW384.86 g/mol
LogP2.25
Rot. Bonds3

About 5-[4-(7-chloro-2,5,8-trideuterio-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-2-methyl-1,3-oxazole

5-[4-(7-chloro-2,5,8-trideuterio-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-2-methyl-1,3-oxazole (PubChem CID 162361028) has the molecular formula C15H16ClN5O3S and a molecular weight of 384.86 g/mol. Its IUPAC name is 5-[4-(7-chloro-2,5,8-trideuterio-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name5-[4-(7-chloro-2,5,8-trideuterio-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-2-methyl-1,3-oxazole
PubChem CID162361028
Molecular FormulaC15H16ClN5O3S
Molecular Weight384.86 g/mol
Exact Mass384.09
IUPAC Name5-[4-(7-chloro-2,5,8-trideuterio-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-2-methyl-1,3-oxazole
SMILES[2H]c1nc2c([2H])c(Cl)c(C3CCN(S(=O)(=O)c4cnc(C)o4)CC3)c([2H])n2n1
InChIInChI=1S/C15H16ClN5O3S/c1-10-17-7-15(24-10)25(22,23)20-4-2-11(3-5-20)12-8-21-14(6-13(12)16)18-9-19-21/h6-9,11H,2-5H2,1H3/i6D,8D,9D
InChIKeyURAUBDCJGRESTK-VCNSICBKSA-N
XLogP2.25
TPSA93.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[4-(7-chloro-2,5,8-trideuterio-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-2-methyl-1,3-oxazole with MolForge

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Related Compounds

2-[4-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-5-methyl-1,3,4-oxadiazole
CID 162361079
5-[4-fluoro-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-2-methyl-1,3-oxazole
CID 168797662
2-methyl-5-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)sulfonyl-1,3-oxazole
CID 167798595
1-(5-chloro-1-methylpyrazol-4-yl)sulfonyl-4-(2,2,3,3-tetradeuterio-7-methyl-1,4-benzodioxin-6-yl)piperidine
CID 168797722
6-[1-(5-chloro-1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-7-methylimidazo[1,2-a]pyridine
CID 168797578
1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-(2,2,3,3-tetradeuterio-7-methyl-1,4-benzodioxin-6-yl)piperidine
CID 168797899
7-methyl-6-[1-[3-methyl-1-(trideuteriomethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 168797789
6-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 168798119
7-chloro-6-[1-(5-methoxy-1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 168797755
2-methyl-5-(1-methylsulfonylpiperidin-4-yl)-1,3,4-oxadiazole
CID 73439255
2-[4-[4-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-1-methylpyrazol-5-yl]acetonitrile
CID 168797792
[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone
CID 39633013

Frequently Asked Questions

What is the IUPAC name of 5-[4-(7-chloro-2,5,8-trideuterio-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-2-methyl-1,3-oxazole?
The IUPAC name of 5-[4-(7-chloro-2,5,8-trideuterio-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-2-methyl-1,3-oxazole (CID 162361028) is 5-[4-(7-chloro-2,5,8-trideuterio-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-2-methyl-1,3-oxazole.
What is the SMILES notation for 5-[4-(7-chloro-2,5,8-trideuterio-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-2-methyl-1,3-oxazole?
The canonical SMILES for 5-[4-(7-chloro-2,5,8-trideuterio-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-2-methyl-1,3-oxazole is [2H]c1nc2c([2H])c(Cl)c(C3CCN(S(=O)(=O)c4cnc(C)o4)CC3)c([2H])n2n1.
What is the InChIKey of 5-[4-(7-chloro-2,5,8-trideuterio-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-2-methyl-1,3-oxazole?
The InChIKey is URAUBDCJGRESTK-VCNSICBKSA-N. The full InChI is InChI=1S/C15H16ClN5O3S/c1-10-17-7-15(24-10)25(22,23)20-4-2-11(3-5-20)12-8-21-14(6-13(12)16)18-9-19-21/h6-9,11H,2-5H2,1H3/i6D,8D,9D.
What are the key properties of 5-[4-(7-chloro-2,5,8-trideuterio-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-2-methyl-1,3-oxazole?
5-[4-(7-chloro-2,5,8-trideuterio-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-2-methyl-1,3-oxazole has a molecular weight of 384.86 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(7-chloro-2,5,8-trideuterio-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-2-methyl-1,3-oxazole is sourced from PubChem (CID 162361028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).