(6-chloropyrazin-2-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone

C14H14ClN3OS — CID 103187222

IUPAC(6-chloropyrazin-2-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
SMILESCCC1c2ccsc2CCN1C(=O)c1cncc(Cl)n1
InChIInChI=1S/C14H14ClN3OS/c1-2-11-9-4-6-20-12(9)3-5-18(11)14(19)10-7-16-8-13(15)17-10/h4,6-8,11H,2-3,5H2,1H3
InChIKeyUSPDRZSZMLNICL-UHFFFAOYSA-N
MW307.81 g/mol
LogP3.34
Rot. Bonds2

About (6-chloropyrazin-2-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone

(6-chloropyrazin-2-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone (PubChem CID 103187222) has the molecular formula C14H14ClN3OS and a molecular weight of 307.81 g/mol. Its IUPAC name is (6-chloropyrazin-2-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(6-chloropyrazin-2-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
PubChem CID103187222
Molecular FormulaC14H14ClN3OS
Molecular Weight307.81 g/mol
Exact Mass307.05
IUPAC Name(6-chloropyrazin-2-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
SMILESCCC1c2ccsc2CCN1C(=O)c1cncc(Cl)n1
InChIInChI=1S/C14H14ClN3OS/c1-2-11-9-4-6-20-12(9)3-5-18(11)14(19)10-7-16-8-13(15)17-10/h4,6-8,11H,2-3,5H2,1H3
InChIKeyUSPDRZSZMLNICL-UHFFFAOYSA-N
XLogP3.34
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.81
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6-chloropyrazin-2-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone with MolForge

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Related Compounds

(6-chloro-3-pyridinyl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 47120174
(2-chloro-4-pyridinyl)-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 93418573
(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 68802157
(2,4-dimethyl-1,3-oxazol-5-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 71871751
2-benzyl-6-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]pyridazin-3-one
CID 51925321
6-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-propylpyridazin-3-one
CID 24504461
(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)-(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
(3,5-dimethoxyphenyl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 17465789
5-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methyl-1H-pyridin-4-one
CID 103696371
(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-fluoro-4-pyridinyl)methanone
CID 61293484

Frequently Asked Questions

What is the IUPAC name of (6-chloropyrazin-2-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The IUPAC name of (6-chloropyrazin-2-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone (CID 103187222) is (6-chloropyrazin-2-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone.
What is the SMILES notation for (6-chloropyrazin-2-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The canonical SMILES for (6-chloropyrazin-2-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone is CCC1c2ccsc2CCN1C(=O)c1cncc(Cl)n1.
What is the InChIKey of (6-chloropyrazin-2-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The InChIKey is USPDRZSZMLNICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3OS/c1-2-11-9-4-6-20-12(9)3-5-18(11)14(19)10-7-16-8-13(15)17-10/h4,6-8,11H,2-3,5H2,1H3.
What are the key properties of (6-chloropyrazin-2-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
(6-chloropyrazin-2-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone has a molecular weight of 307.81 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloropyrazin-2-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone is sourced from PubChem (CID 103187222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).