1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propan-1-one

C17H23N5OS — CID 75533790

IUPAC1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propan-1-one
SMILESCC(NCc1nnc2n1CCCC2)C(=O)N1CCc2sccc2C1
InChIInChI=1S/C17H23N5OS/c1-12(17(23)21-8-5-14-13(11-21)6-9-24-14)18-10-16-20-19-15-4-2-3-7-22(15)16/h6,9,12,18H,2-5,7-8,10-11H2,1H3
InChIKeyMINFQBSPOFKPCG-UHFFFAOYSA-N
MW345.47 g/mol
LogP1.74
Rot. Bonds4

About 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propan-1-one

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propan-1-one (PubChem CID 75533790) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propan-1-one.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propan-1-one
PubChem CID75533790
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propan-1-one
SMILESCC(NCc1nnc2n1CCCC2)C(=O)N1CCc2sccc2C1
InChIInChI=1S/C17H23N5OS/c1-12(17(23)21-8-5-14-13(11-21)6-9-24-14)18-10-16-20-19-15-4-2-3-7-22(15)16/h6,9,12,18H,2-5,7-8,10-11H2,1H3
InChIKeyMINFQBSPOFKPCG-UHFFFAOYSA-N
XLogP1.74
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propan-1-one?
The IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propan-1-one (CID 75533790) is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propan-1-one.
What is the SMILES notation for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propan-1-one?
The canonical SMILES for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propan-1-one is CC(NCc1nnc2n1CCCC2)C(=O)N1CCc2sccc2C1.
What is the InChIKey of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propan-1-one?
The InChIKey is MINFQBSPOFKPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-12(17(23)21-8-5-14-13(11-21)6-9-24-14)18-10-16-20-19-15-4-2-3-7-22(15)16/h6,9,12,18H,2-5,7-8,10-11H2,1H3.
What are the key properties of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propan-1-one?
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propan-1-one has a molecular weight of 345.47 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propan-1-one is sourced from PubChem (CID 75533790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).