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

C17H23N5OS — CID 56778818

IUPAC2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
SMILESCC(C)c1nnc2n1CCN(C(=O)CN1CCc3sccc3C1)C2
InChIInChI=1S/C17H23N5OS/c1-12(2)17-19-18-15-10-21(6-7-22(15)17)16(23)11-20-5-3-14-13(9-20)4-8-24-14/h4,8,12H,3,5-7,9-11H2,1-2H3
InChIKeyQGNIVZNKRDIDQD-UHFFFAOYSA-N
MW345.47 g/mol
LogP1.86
Rot. Bonds3

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

2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone (PubChem CID 56778818) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone.

Molecular Properties

Compound Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
PubChem CID56778818
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
SMILESCC(C)c1nnc2n1CCN(C(=O)CN1CCc3sccc3C1)C2
InChIInChI=1S/C17H23N5OS/c1-12(2)17-19-18-15-10-21(6-7-22(15)17)16(23)11-20-5-3-14-13(9-20)4-8-24-14/h4,8,12H,3,5-7,9-11H2,1-2H3
InChIKeyQGNIVZNKRDIDQD-UHFFFAOYSA-N
XLogP1.86
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

US10167299, Example 2
CID 118219301
N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 40034917
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 45803877
N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 47048816
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 51084695
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
CID 53609031
N-methyl-2-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 53623444
3-[4-Methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-[(5-methylthiophen-2-yl)methyl]piperidine
CID 70712771
1-(4-ethyl-5-{1-[(5-methyl-2-thienyl)methyl]piperidin-4-yl}-4H-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine
CID 70716094
N,N-dimethyl-1-(4-methyl-5-{1-[3-(2-thienyl)propanoyl]piperidin-4-yl}-4H-1,2,4-triazol-3-yl)methanamine
CID 70782677
N-methyl-2-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 72141083
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

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone?
The IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone (CID 56778818) is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone.
What is the SMILES notation for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone?
The canonical SMILES for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone is CC(C)c1nnc2n1CCN(C(=O)CN1CCc3sccc3C1)C2.
What is the InChIKey of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone?
The InChIKey is QGNIVZNKRDIDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-12(2)17-19-18-15-10-21(6-7-22(15)17)16(23)11-20-5-3-14-13(9-20)4-8-24-14/h4,8,12H,3,5-7,9-11H2,1-2H3.
What are the key properties of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone?
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone has a molecular weight of 345.47 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone is sourced from PubChem (CID 56778818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).