(3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone

C23H20N6O2S — CID 42934165

IUPAC(3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
SMILESCc1noc2nc(-c3cccs3)cc(C(=O)N3CCCC(c4nnc5ccccn45)C3)c12
InChIInChI=1S/C23H20N6O2S/c1-14-20-16(12-17(18-7-5-11-32-18)24-22(20)31-27-14)23(30)28-9-4-6-15(13-28)21-26-25-19-8-2-3-10-29(19)21/h2-3,5,7-8,10-12,15H,4,6,9,13H2,1H3
InChIKeyYQSWZMNCALUDFU-UHFFFAOYSA-N
MW444.52 g/mol
LogP4.32
Rot. Bonds3

About (3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone

(3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone (PubChem CID 42934165) has the molecular formula C23H20N6O2S and a molecular weight of 444.52 g/mol. Its IUPAC name is (3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
PubChem CID42934165
Molecular FormulaC23H20N6O2S
Molecular Weight444.52 g/mol
Exact Mass444.14
IUPAC Name(3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
SMILESCc1noc2nc(-c3cccs3)cc(C(=O)N3CCCC(c4nnc5ccccn45)C3)c12
InChIInChI=1S/C23H20N6O2S/c1-14-20-16(12-17(18-7-5-11-32-18)24-22(20)31-27-14)23(30)28-9-4-6-15(13-28)21-26-25-19-8-2-3-10-29(19)21/h2-3,5,7-8,10-12,15H,4,6,9,13H2,1H3
InChIKeyYQSWZMNCALUDFU-UHFFFAOYSA-N
XLogP4.32
TPSA89.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.52
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
CID 9317168
3-[(3S)-3-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 92553570
(2-iodophenyl)-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 42896883
[2-(furan-2-yl)quinolin-4-yl]-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 42895594
(2-phenyl-1,3-thiazol-4-yl)-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 51926476
(2-methylimidazo[1,2-a]pyridin-3-yl)-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 121068888
3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 19591048
(3-methyl-1-benzofuran-2-yl)-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 17488890
[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 94111010
[2-(difluoromethoxy)phenyl]-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 51929159
(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 40875796
[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone
CID 39998594

Frequently Asked Questions

What is the IUPAC name of (3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone (CID 42934165) is (3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone is Cc1noc2nc(-c3cccs3)cc(C(=O)N3CCCC(c4nnc5ccccn45)C3)c12.
What is the InChIKey of (3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?
The InChIKey is YQSWZMNCALUDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O2S/c1-14-20-16(12-17(18-7-5-11-32-18)24-22(20)31-27-14)23(30)28-9-4-6-15(13-28)21-26-25-19-8-2-3-10-29(19)21/h2-3,5,7-8,10-12,15H,4,6,9,13H2,1H3.
What are the key properties of (3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?
(3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone has a molecular weight of 444.52 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 42934165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).