(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-pyrazol-1-ylpropan-1-one

C13H15N3OS — CID 94004829

IUPAC(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-pyrazol-1-ylpropan-1-one
SMILESC[C@H](C(=O)N1CCc2sccc2C1)n1cccn1
InChIInChI=1S/C13H15N3OS/c1-10(16-6-2-5-14-16)13(17)15-7-3-12-11(9-15)4-8-18-12/h2,4-6,8,10H,3,7,9H2,1H3/t10-/m1/s1
InChIKeyVHJXEGMXKYZFFT-SNVBAGLBSA-N
MW261.35 g/mol
LogP2.09
Rot. Bonds2

About (2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-pyrazol-1-ylpropan-1-one

(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-pyrazol-1-ylpropan-1-one (PubChem CID 94004829) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is (2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-pyrazol-1-ylpropan-1-one.

Molecular Properties

Compound Name(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-pyrazol-1-ylpropan-1-one
PubChem CID94004829
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-pyrazol-1-ylpropan-1-one
SMILESC[C@H](C(=O)N1CCc2sccc2C1)n1cccn1
InChIInChI=1S/C13H15N3OS/c1-10(16-6-2-5-14-16)13(17)15-7-3-12-11(9-15)4-8-18-12/h2,4-6,8,10H,3,7,9H2,1H3/t10-/m1/s1
InChIKeyVHJXEGMXKYZFFT-SNVBAGLBSA-N
XLogP2.09
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-pyrazol-1-ylpropan-1-one with MolForge

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Related Compounds

(2S)-2-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one;hydrochloride
CID 119276838
(2S)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 129446576
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methoxypropan-1-one
CID 115588170
(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
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-hydroxy-2-phenylethanone
CID 111432209
1-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]piperidine-4-sulfonamide
CID 75434529
1-(4-acetylpiperazin-1-yl)-2-pyrazol-1-ylpropan-1-one
CID 51076824
(2S)-N-[(2S)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]-2-(1,2,4-triazol-1-yl)propanamide
CID 97213212
2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N'-hydroxy-3-methylbutanimidamide
CID 76924704
N-(1-propan-2-yltriazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 72927590
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-phenylphenoxy)propan-1-one
CID 55607981
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

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-pyrazol-1-ylpropan-1-one?
The IUPAC name of (2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-pyrazol-1-ylpropan-1-one (CID 94004829) is (2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-pyrazol-1-ylpropan-1-one.
What is the SMILES notation for (2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-pyrazol-1-ylpropan-1-one?
The canonical SMILES for (2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-pyrazol-1-ylpropan-1-one is C[C@H](C(=O)N1CCc2sccc2C1)n1cccn1.
What is the InChIKey of (2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-pyrazol-1-ylpropan-1-one?
The InChIKey is VHJXEGMXKYZFFT-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-10(16-6-2-5-14-16)13(17)15-7-3-12-11(9-15)4-8-18-12/h2,4-6,8,10H,3,7,9H2,1H3/t10-/m1/s1.
What are the key properties of (2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-pyrazol-1-ylpropan-1-one?
(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-pyrazol-1-ylpropan-1-one has a molecular weight of 261.35 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 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-pyrazol-1-ylpropan-1-one is sourced from PubChem (CID 94004829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).