3-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C26H26N4O3S — CID 155945166

IUPAC3-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3cccs3)cc(C(=O)NC3CC4(CCN(C)CC4)Oc4ccccc43)c12
InChIInChI=1S/C26H26N4O3S/c1-16-23-18(14-19(22-8-5-13-34-22)28-25(23)33-29-16)24(31)27-20-15-26(9-11-30(2)12-10-26)32-21-7-4-3-6-17(20)21/h3-8,13-14,20H,9-12,15H2,1-2H3,(H,27,31)
InChIKeyGKXYMUDSUAJOBF-UHFFFAOYSA-N
MW474.59 g/mol
LogP4.98
Rot. Bonds3

About 3-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

3-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 155945166) has the molecular formula C26H26N4O3S and a molecular weight of 474.59 g/mol. Its IUPAC name is 3-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID155945166
Molecular FormulaC26H26N4O3S
Molecular Weight474.59 g/mol
Exact Mass474.17
IUPAC Name3-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3cccs3)cc(C(=O)NC3CC4(CCN(C)CC4)Oc4ccccc43)c12
InChIInChI=1S/C26H26N4O3S/c1-16-23-18(14-19(22-8-5-13-34-22)28-25(23)33-29-16)24(31)27-20-15-26(9-11-30(2)12-10-26)32-21-7-4-3-6-17(20)21/h3-8,13-14,20H,9-12,15H2,1-2H3,(H,27,31)
InChIKeyGKXYMUDSUAJOBF-UHFFFAOYSA-N
XLogP4.98
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.59
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide with MolForge

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Related Compounds

2-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)quinoline-3-carboxamide
CID 155945168
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51853209
3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
CID 9317168
2-(dimethylamino)-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)quinoline-4-carboxamide
CID 155948335
5-methyl-N-[(4S)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]furan-2-carboxamide
CID 51546641
1-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-5-phenylpyrazole-4-carboxamide
CID 155946672
3,5-dimethyl-N-(1'-methyl-2'-oxospiro[3,4-dihydrochromene-2,5'-azepane]-4-yl)-1,2-oxazole-4-carboxamide
CID 110212861
6-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)quinazoline-4-carboxamide
CID 166381221
3-methyl-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 94175732
ethyl N-[(3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]carbamate
CID 46808868
3-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 42916523
N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 43040626

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 3-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 155945166) is 3-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 3-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 3-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1noc2nc(-c3cccs3)cc(C(=O)NC3CC4(CCN(C)CC4)Oc4ccccc43)c12.
What is the InChIKey of 3-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is GKXYMUDSUAJOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3S/c1-16-23-18(14-19(22-8-5-13-34-22)28-25(23)33-29-16)24(31)27-20-15-26(9-11-30(2)12-10-26)32-21-7-4-3-6-17(20)21/h3-8,13-14,20H,9-12,15H2,1-2H3,(H,27,31).
What are the key properties of 3-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
3-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 474.59 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 155945166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).