(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methanone;hydrochloride

C16H21ClN4OS — CID 154753957

IUPAC(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methanone;hydrochloride
SMILESCCC1c2ccsc2CCN1C(=O)c1n[nH]c2c1CNCC2.Cl
InChIInChI=1S/C16H20N4OS.ClH/c1-2-13-10-5-8-22-14(10)4-7-20(13)16(21)15-11-9-17-6-3-12(11)18-19-15;/h5,8,13,17H,2-4,6-7,9H2,1H3,(H,18,19);1H
InChIKeyXKLDZJTWCGRGRR-UHFFFAOYSA-N
MW352.89 g/mol
LogP2.69
Rot. Bonds2

About (4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methanone;hydrochloride

(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methanone;hydrochloride (PubChem CID 154753957) has the molecular formula C16H21ClN4OS and a molecular weight of 352.89 g/mol. Its IUPAC name is (4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methanone;hydrochloride
PubChem CID154753957
Molecular FormulaC16H21ClN4OS
Molecular Weight352.89 g/mol
Exact Mass352.11
IUPAC Name(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methanone;hydrochloride
SMILESCCC1c2ccsc2CCN1C(=O)c1n[nH]c2c1CNCC2.Cl
InChIInChI=1S/C16H20N4OS.ClH/c1-2-13-10-5-8-22-14(10)4-7-20(13)16(21)15-11-9-17-6-3-12(11)18-19-15;/h5,8,13,17H,2-4,6-7,9H2,1H3,(H,18,19);1H
InChIKeyXKLDZJTWCGRGRR-UHFFFAOYSA-N
XLogP2.69
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.89
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methanone;hydrochloride with MolForge

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Related Compounds

(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(4-methylpiperidin-4-yl)methanone
CID 63121981
(3,5-diaminophenyl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 61107490
(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone
CID 126768776
(6-chloro-3-pyridinyl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 47120174
(3,5-dimethoxyphenyl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 17465789
(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-fluoro-4-pyridinyl)methanone
CID 61293484
(2-chloro-4-pyridinyl)-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 93418573
(6-chloropyrazin-2-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 103187222
(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(3-fluorophenyl)methanone
CID 18093063
(2,4-dimethyl-1,3-oxazol-5-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 71871751
(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-fluorophenyl)methanone
CID 51239407
(4-bromo-1H-pyrrol-2-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 47124034

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methanone;hydrochloride?
The IUPAC name of (4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methanone;hydrochloride (CID 154753957) is (4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methanone;hydrochloride.
What is the SMILES notation for (4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methanone;hydrochloride?
The canonical SMILES for (4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methanone;hydrochloride is CCC1c2ccsc2CCN1C(=O)c1n[nH]c2c1CNCC2.Cl.
What is the InChIKey of (4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methanone;hydrochloride?
The InChIKey is XKLDZJTWCGRGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS.ClH/c1-2-13-10-5-8-22-14(10)4-7-20(13)16(21)15-11-9-17-6-3-12(11)18-19-15;/h5,8,13,17H,2-4,6-7,9H2,1H3,(H,18,19);1H.
What are the key properties of (4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methanone;hydrochloride?
(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methanone;hydrochloride has a molecular weight of 352.89 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methanone;hydrochloride is sourced from PubChem (CID 154753957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).