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

C16H21N5OS — CID 95297182

IUPAC(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-1-one
SMILESC[C@@H](N[C@H]1CCc2ncnn2C1)C(=O)N1CCc2sccc2C1
InChIInChI=1S/C16H21N5OS/c1-11(19-13-2-3-15-17-10-18-21(15)9-13)16(22)20-6-4-14-12(8-20)5-7-23-14/h5,7,10-11,13,19H,2-4,6,8-9H2,1H3/t11-,13+/m1/s1
InChIKeyNFMIWXOSJFXQQW-YPMHNXCESA-N
MW331.45 g/mol
LogP1.22
Rot. Bonds3

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

(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-1-one (PubChem CID 95297182) 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-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-1-one.

Molecular Properties

Compound Name(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-1-one
PubChem CID95297182
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-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-1-one
SMILESC[C@@H](N[C@H]1CCc2ncnn2C1)C(=O)N1CCc2sccc2C1
InChIInChI=1S/C16H21N5OS/c1-11(19-13-2-3-15-17-10-18-21(15)9-13)16(22)20-6-4-14-12(8-20)5-7-23-14/h5,7,10-11,13,19H,2-4,6,8-9H2,1H3/t11-,13+/m1/s1
InChIKeyNFMIWXOSJFXQQW-YPMHNXCESA-N
XLogP1.22
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.45
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ylamino)ethanone
CID 56780034
(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-1-one
CID 95311791
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methoxypropan-1-one
CID 115588170
(2R)-N-(5-chloro-2-pyridinyl)-2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propanamide
CID 95333583
4-chloro-N-[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]benzamide
CID 42470212
(2S)-2-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one;hydrochloride
CID 119276838
(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-pyrazol-1-ylpropan-1-one
CID 94004829
7,8-dihydro-5H-1,6-naphthyridin-6-yl(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
CID 155503871
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-1-one
CID 95345919
2-chloro-N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]acetamide
CID 146085843
(2S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propanamide
CID 100840996
2-(azepan-1-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propanamide
CID 127374124

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-1-one?
The IUPAC name of (2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-1-one (CID 95297182) is (2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-1-one.
What is the SMILES notation for (2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-1-one?
The canonical SMILES for (2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-1-one is C[C@@H](N[C@H]1CCc2ncnn2C1)C(=O)N1CCc2sccc2C1.
What is the InChIKey of (2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-1-one?
The InChIKey is NFMIWXOSJFXQQW-YPMHNXCESA-N. The full InChI is InChI=1S/C16H21N5OS/c1-11(19-13-2-3-15-17-10-18-21(15)9-13)16(22)20-6-4-14-12(8-20)5-7-23-14/h5,7,10-11,13,19H,2-4,6,8-9H2,1H3/t11-,13+/m1/s1.
What are the key properties of (2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-1-one?
(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-1-one has a molecular weight of 331.45 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 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-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-1-one is sourced from PubChem (CID 95297182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).