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

C16H21N5OS — CID 95327003

IUPAC(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one
SMILESCc1nnc2n1CCN([C@H](C)C(=O)N1CCc3sccc3C1)C2
InChIInChI=1S/C16H21N5OS/c1-11(19-6-7-21-12(2)17-18-15(21)10-19)16(22)20-5-3-14-13(9-20)4-8-23-14/h4,8,11H,3,5-7,9-10H2,1-2H3/t11-/m1/s1
InChIKeyVZYZVDWCXRBSNY-LLVKDONJSA-N
MW331.45 g/mol
LogP1.44
Rot. Bonds2

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

(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one (PubChem CID 95327003) has the molecular formula C16H21N5OS and a molecular weight of 331.45 g/mol. Its IUPAC name is (2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one
PubChem CID95327003
Molecular FormulaC16H21N5OS
Molecular Weight331.45 g/mol
Exact Mass331.15
IUPAC Name(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one
SMILESCc1nnc2n1CCN([C@H](C)C(=O)N1CCc3sccc3C1)C2
InChIInChI=1S/C16H21N5OS/c1-11(19-6-7-21-12(2)17-18-15(21)10-19)16(22)20-5-3-14-13(9-20)4-8-23-14/h4,8,11H,3,5-7,9-10H2,1-2H3/t11-/m1/s1
InChIKeyVZYZVDWCXRBSNY-LLVKDONJSA-N
XLogP1.44
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.45
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-pyrazol-1-ylpropan-1-one
CID 94004829
(2S)-2-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one;hydrochloride
CID 119276838
1-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]piperidine-4-sulfonamide
CID 75434529
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methoxypropan-1-one
CID 115588170
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazin-1-yl]butane-1,4-dione
CID 86890818
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanoic acid
CID 43101067
2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N'-hydroxy-3-methylbutanimidamide
CID 76924704
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-hydroxy-2-phenylethanone
CID 111432209
N-[1-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 47056200
2-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile
CID 134037652
4-chloro-N-[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]benzamide
CID 42470212
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(methylamino)ethanone;hydrochloride
CID 119700093

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one?
The IUPAC name of (2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one (CID 95327003) is (2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one.
What is the SMILES notation for (2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one?
The canonical SMILES for (2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one is Cc1nnc2n1CCN([C@H](C)C(=O)N1CCc3sccc3C1)C2.
What is the InChIKey of (2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one?
The InChIKey is VZYZVDWCXRBSNY-LLVKDONJSA-N. The full InChI is InChI=1S/C16H21N5OS/c1-11(19-6-7-21-12(2)17-18-15(21)10-19)16(22)20-5-3-14-13(9-20)4-8-23-14/h4,8,11H,3,5-7,9-10H2,1-2H3/t11-/m1/s1.
What are the key properties of (2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one?
(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one has a molecular weight of 331.45 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one is sourced from PubChem (CID 95327003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).