7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]thieno[2,3-c]pyridine

C14H17N3S — CID 11379923

IUPAC7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]thieno[2,3-c]pyridine
SMILESc1cc2ccsc2c(N2CCN3CCC[C@H]3C2)n1
InChIInChI=1S/C14H17N3S/c1-2-12-10-17(8-7-16(12)6-1)14-13-11(3-5-15-14)4-9-18-13/h3-5,9,12H,1-2,6-8,10H2/t12-/m0/s1
InChIKeyJBZYFWGOADKYKO-LBPRGKRZSA-N
MW259.38 g/mol
LogP2.58
Rot. Bonds1

About 7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]thieno[2,3-c]pyridine

7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]thieno[2,3-c]pyridine (PubChem CID 11379923) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is 7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]thieno[2,3-c]pyridine.

Molecular Properties

Compound Name7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]thieno[2,3-c]pyridine
PubChem CID11379923
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]thieno[2,3-c]pyridine
SMILESc1cc2ccsc2c(N2CCN3CCC[C@H]3C2)n1
InChIInChI=1S/C14H17N3S/c1-2-12-10-17(8-7-16(12)6-1)14-13-11(3-5-15-14)4-9-18-13/h3-5,9,12H,1-2,6-8,10H2/t12-/m0/s1
InChIKeyJBZYFWGOADKYKO-LBPRGKRZSA-N
XLogP2.58
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]thieno[2,3-c]pyridine with MolForge

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Related Compounds

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S-21007
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1-Pyridin-2-yl-4-[2-(4-thiophen-2-yl-cyclohex-3-enyl)-ethyl]-piperazine
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8-(4-Benzylpiperazin-1-yl)-5-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 10247171
8-(4-Methylpiperazin-1-yl)-3-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene
CID 10516340

Frequently Asked Questions

What is the IUPAC name of 7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]thieno[2,3-c]pyridine?
The IUPAC name of 7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]thieno[2,3-c]pyridine (CID 11379923) is 7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]thieno[2,3-c]pyridine.
What is the SMILES notation for 7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]thieno[2,3-c]pyridine?
The canonical SMILES for 7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]thieno[2,3-c]pyridine is c1cc2ccsc2c(N2CCN3CCC[C@H]3C2)n1.
What is the InChIKey of 7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]thieno[2,3-c]pyridine?
The InChIKey is JBZYFWGOADKYKO-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17N3S/c1-2-12-10-17(8-7-16(12)6-1)14-13-11(3-5-15-14)4-9-18-13/h3-5,9,12H,1-2,6-8,10H2/t12-/m0/s1.
What are the key properties of 7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]thieno[2,3-c]pyridine?
7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]thieno[2,3-c]pyridine has a molecular weight of 259.38 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]thieno[2,3-c]pyridine is sourced from PubChem (CID 11379923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).