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

C15H15ClN2OS — CID 93418573

IUPAC(2-chloro-4-pyridinyl)-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
SMILESCC[C@@H]1c2ccsc2CCN1C(=O)c1ccnc(Cl)c1
InChIInChI=1S/C15H15ClN2OS/c1-2-12-11-5-8-20-13(11)4-7-18(12)15(19)10-3-6-17-14(16)9-10/h3,5-6,8-9,12H,2,4,7H2,1H3/t12-/m1/s1
InChIKeyPDANDQUIVMIMEP-GFCCVEGCSA-N
MW306.82 g/mol
LogP3.95
Rot. Bonds2

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

(2-chloro-4-pyridinyl)-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (PubChem CID 93418573) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is (2-chloro-4-pyridinyl)-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(2-chloro-4-pyridinyl)-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
PubChem CID93418573
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC Name(2-chloro-4-pyridinyl)-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
SMILESCC[C@@H]1c2ccsc2CCN1C(=O)c1ccnc(Cl)c1
InChIInChI=1S/C15H15ClN2OS/c1-2-12-11-5-8-20-13(11)4-7-18(12)15(19)10-3-6-17-14(16)9-10/h3,5-6,8-9,12H,2,4,7H2,1H3/t12-/m1/s1
InChIKeyPDANDQUIVMIMEP-GFCCVEGCSA-N
XLogP3.95
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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

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Launch Full Analysis

Related Compounds

(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-fluoro-4-pyridinyl)methanone
CID 61293484
(6-chloro-3-pyridinyl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 47120174
(2-chloro-4-pyridinyl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 46546069
(3,5-diaminophenyl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 61107490
(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
(3,5-dimethoxyphenyl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 17465789
(4-bromo-3,5-dimethoxyphenyl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 46442107
(3-amino-4-bromophenyl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 61107331
(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 68802157
[4-chloro-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 27331877
(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone
CID 46442289

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-pyridinyl)-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?
The IUPAC name of (2-chloro-4-pyridinyl)-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (CID 93418573) is (2-chloro-4-pyridinyl)-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone.
What is the SMILES notation for (2-chloro-4-pyridinyl)-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?
The canonical SMILES for (2-chloro-4-pyridinyl)-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone is CC[C@@H]1c2ccsc2CCN1C(=O)c1ccnc(Cl)c1.
What is the InChIKey of (2-chloro-4-pyridinyl)-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?
The InChIKey is PDANDQUIVMIMEP-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H15ClN2OS/c1-2-12-11-5-8-20-13(11)4-7-18(12)15(19)10-3-6-17-14(16)9-10/h3,5-6,8-9,12H,2,4,7H2,1H3/t12-/m1/s1.
What are the key properties of (2-chloro-4-pyridinyl)-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?
(2-chloro-4-pyridinyl)-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone has a molecular weight of 306.82 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-pyridinyl)-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone is sourced from PubChem (CID 93418573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).