[3-[(2S)-1-methyl-4-methylsulfonylpiperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-morpholin-4-ylmethanone

C17H24N6O4S — CID 98776711

IUPAC[3-[(2S)-1-methyl-4-methylsulfonylpiperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-morpholin-4-ylmethanone
SMILESCN1CCN(S(C)(=O)=O)C[C@H]1c1nnc2ccc(C(=O)N3CCOCC3)cn12
InChIInChI=1S/C17H24N6O4S/c1-20-5-6-22(28(2,25)26)12-14(20)16-19-18-15-4-3-13(11-23(15)16)17(24)21-7-9-27-10-8-21/h3-4,11,14H,5-10,12H2,1-2H3/t14-/m0/s1
InChIKeyIXMLAMHWHLJLRD-AWEZNQCLSA-N
MW408.48 g/mol
LogP-0.55
Rot. Bonds3

About [3-[(2S)-1-methyl-4-methylsulfonylpiperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-morpholin-4-ylmethanone

[3-[(2S)-1-methyl-4-methylsulfonylpiperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-morpholin-4-ylmethanone (PubChem CID 98776711) has the molecular formula C17H24N6O4S and a molecular weight of 408.48 g/mol. Its IUPAC name is [3-[(2S)-1-methyl-4-methylsulfonylpiperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[(2S)-1-methyl-4-methylsulfonylpiperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-morpholin-4-ylmethanone
PubChem CID98776711
Molecular FormulaC17H24N6O4S
Molecular Weight408.48 g/mol
Exact Mass408.16
IUPAC Name[3-[(2S)-1-methyl-4-methylsulfonylpiperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-morpholin-4-ylmethanone
SMILESCN1CCN(S(C)(=O)=O)C[C@H]1c1nnc2ccc(C(=O)N3CCOCC3)cn12
InChIInChI=1S/C17H24N6O4S/c1-20-5-6-22(28(2,25)26)12-14(20)16-19-18-15-4-3-13(11-23(15)16)17(24)21-7-9-27-10-8-21/h3-4,11,14H,5-10,12H2,1-2H3/t14-/m0/s1
InChIKeyIXMLAMHWHLJLRD-AWEZNQCLSA-N
XLogP-0.55
TPSA100.35 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 5-0.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [3-[(2S)-1-methyl-4-methylsulfonylpiperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-morpholin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N,4-trimethyl-3-[6-(morpholine-4-carbonyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperazine-1-carboxamide
CID 134068931
3-(1-methyl-4-methylsulfonylpiperazin-2-yl)-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 131652032
(4-methylpiperazin-1-yl)-[3-(1-methyl-4-pyrimidin-2-ylpiperazin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone
CID 131650706
[3-[1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-piperidin-1-ylmethanone
CID 134068912
3-[4-(cyclopropylmethyl)-1-methylpiperazin-2-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134075626
3-(1,4-dimethylpiperazin-2-yl)-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 131646915
3-[(2R)-1-methyl-4-pyrimidin-2-ylpiperazin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 97448676
N-benzyl-3-[(2R)-4-benzyl-1-methylpiperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 97448640
methyl 3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 117140201
N-cyclobutyl-3-[(2R)-1-methyl-4-pyrimidin-2-ylpiperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 97448670
[3-(5-chloro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-morpholin-4-ylmethanone
CID 134794472
3-(1-methyl-4-pyrimidin-2-ylpiperazin-2-yl)-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 131657175

Frequently Asked Questions

What is the IUPAC name of [3-[(2S)-1-methyl-4-methylsulfonylpiperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[(2S)-1-methyl-4-methylsulfonylpiperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-morpholin-4-ylmethanone (CID 98776711) is [3-[(2S)-1-methyl-4-methylsulfonylpiperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-[(2S)-1-methyl-4-methylsulfonylpiperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[(2S)-1-methyl-4-methylsulfonylpiperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-morpholin-4-ylmethanone is CN1CCN(S(C)(=O)=O)C[C@H]1c1nnc2ccc(C(=O)N3CCOCC3)cn12.
What is the InChIKey of [3-[(2S)-1-methyl-4-methylsulfonylpiperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-morpholin-4-ylmethanone?
The InChIKey is IXMLAMHWHLJLRD-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N6O4S/c1-20-5-6-22(28(2,25)26)12-14(20)16-19-18-15-4-3-13(11-23(15)16)17(24)21-7-9-27-10-8-21/h3-4,11,14H,5-10,12H2,1-2H3/t14-/m0/s1.
What are the key properties of [3-[(2S)-1-methyl-4-methylsulfonylpiperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-morpholin-4-ylmethanone?
[3-[(2S)-1-methyl-4-methylsulfonylpiperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-morpholin-4-ylmethanone has a molecular weight of 408.48 g/mol, XLogP of -0.55, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2S)-1-methyl-4-methylsulfonylpiperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 98776711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).