7-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,3-dihydrothieno[2,3-c]pyridine

C15H21N3S — CID 143096949

IUPAC7-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,3-dihydrothieno[2,3-c]pyridine
SMILESc1cc2c(c(N3CCN4CCCCC4C3)n1)SCC2
InChIInChI=1S/C15H21N3S/c1-2-7-17-8-9-18(11-13(17)3-1)15-14-12(4-6-16-15)5-10-19-14/h4,6,13H,1-3,5,7-11H2
InChIKeyALGQPUZMSZAHEM-UHFFFAOYSA-N
MW275.42 g/mol
LogP2.40
Rot. Bonds1

About 7-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,3-dihydrothieno[2,3-c]pyridine

7-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,3-dihydrothieno[2,3-c]pyridine (PubChem CID 143096949) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 7-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,3-dihydrothieno[2,3-c]pyridine.

Molecular Properties

Compound Name7-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,3-dihydrothieno[2,3-c]pyridine
PubChem CID143096949
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name7-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,3-dihydrothieno[2,3-c]pyridine
SMILESc1cc2c(c(N3CCN4CCCCC4C3)n1)SCC2
InChIInChI=1S/C15H21N3S/c1-2-7-17-8-9-18(11-13(17)3-1)15-14-12(4-6-16-15)5-10-19-14/h4,6,13H,1-3,5,7-11H2
InChIKeyALGQPUZMSZAHEM-UHFFFAOYSA-N
XLogP2.40
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,3-dihydrothieno[2,3-c]pyridine with MolForge

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Related Compounds

2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-chloropyridine-4-carboxylic acid
CID 107062809
7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]thieno[2,3-c]pyridine
CID 11379923
1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-pyridinyl]-N-methylmethanamine
CID 79925344
N-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 79918672
2-(3-piperidin-1-ylsulfonyl-2-pyridinyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 127310250
2-(3,4-dichlorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929688
2-quinolin-5-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79915081
2-(4-piperidin-1-ylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79922742
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-bromo-4-methylpyridin-3-amine
CID 104507019
5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-2-carboxylic acid
CID 115491013
2-(6-methylquinolin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 133458927
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-methylpyridine-3-carboxylic acid
CID 80632423

Frequently Asked Questions

What is the IUPAC name of 7-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,3-dihydrothieno[2,3-c]pyridine?
The IUPAC name of 7-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,3-dihydrothieno[2,3-c]pyridine (CID 143096949) is 7-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,3-dihydrothieno[2,3-c]pyridine.
What is the SMILES notation for 7-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,3-dihydrothieno[2,3-c]pyridine?
The canonical SMILES for 7-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,3-dihydrothieno[2,3-c]pyridine is c1cc2c(c(N3CCN4CCCCC4C3)n1)SCC2.
What is the InChIKey of 7-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,3-dihydrothieno[2,3-c]pyridine?
The InChIKey is ALGQPUZMSZAHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-2-7-17-8-9-18(11-13(17)3-1)15-14-12(4-6-16-15)5-10-19-14/h4,6,13H,1-3,5,7-11H2.
What are the key properties of 7-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,3-dihydrothieno[2,3-c]pyridine?
7-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,3-dihydrothieno[2,3-c]pyridine has a molecular weight of 275.42 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,3-dihydrothieno[2,3-c]pyridine is sourced from PubChem (CID 143096949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).