(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone

C21H22N4O3 — CID 162633217

IUPAC(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
SMILESCOc1cccc2c1C1(CCN(C(=O)c3ccc4ncnn4c3)CC1)OCC2
InChIInChI=1S/C21H22N4O3/c1-27-17-4-2-3-15-7-12-28-21(19(15)17)8-10-24(11-9-21)20(26)16-5-6-18-22-14-23-25(18)13-16/h2-6,13-14H,7-12H2,1H3
InChIKeyFPIDMCVDVFBUHV-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.44
Rot. Bonds2

About (8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone

(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone (PubChem CID 162633217) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is (8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone.

Molecular Properties

Compound Name(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
PubChem CID162633217
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
SMILESCOc1cccc2c1C1(CCN(C(=O)c3ccc4ncnn4c3)CC1)OCC2
InChIInChI=1S/C21H22N4O3/c1-27-17-4-2-3-15-7-12-28-21(19(15)17)8-10-24(11-9-21)20(26)16-5-6-18-22-14-23-25(18)13-16/h2-6,13-14H,7-12H2,1H3
InChIKeyFPIDMCVDVFBUHV-UHFFFAOYSA-N
XLogP2.44
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-pyridin-4-ylmethanone
CID 135095604
(2-methoxy-4-pyridinyl)-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone
CID 135104461
(4,6-dimethylpyrimidin-5-yl)-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone
CID 135095343
(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-(1H-pyrazol-4-yl)methanone
CID 135104777
(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-thiophen-3-ylmethanone
CID 135119505
(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-[4-(1H-pyrazol-5-yl)phenyl]methanone
CID 135089217
(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-quinoxalin-5-ylmethanone
CID 163312283
(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-(1,2-oxazol-3-yl)methanone
CID 135092256
(5-chloro-2-pyridinyl)-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone
CID 135113554
(2-chlorophenyl)-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone
CID 135098887
(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-(4-methylpyrazolo[1,5-a]pyridin-3-yl)methanone
CID 162635771
(6-chloro-3-fluoroimidazo[1,2-a]pyridin-2-yl)-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone
CID 162637345

Frequently Asked Questions

What is the IUPAC name of (8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone?
The IUPAC name of (8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone (CID 162633217) is (8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone.
What is the SMILES notation for (8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone?
The canonical SMILES for (8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone is COc1cccc2c1C1(CCN(C(=O)c3ccc4ncnn4c3)CC1)OCC2.
What is the InChIKey of (8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone?
The InChIKey is FPIDMCVDVFBUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-27-17-4-2-3-15-7-12-28-21(19(15)17)8-10-24(11-9-21)20(26)16-5-6-18-22-14-23-25(18)13-16/h2-6,13-14H,7-12H2,1H3.
What are the key properties of (8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone?
(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone has a molecular weight of 378.43 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone is sourced from PubChem (CID 162633217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).