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

C19H15ClN2OS — CID 46546069

IUPAC(2-chloro-4-pyridinyl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
SMILESO=C(c1ccnc(Cl)c1)N1CCc2sccc2C1c1ccccc1
InChIInChI=1S/C19H15ClN2OS/c20-17-12-14(6-9-21-17)19(23)22-10-7-16-15(8-11-24-16)18(22)13-4-2-1-3-5-13/h1-6,8-9,11-12,18H,7,10H2
InChIKeyWFMYBMBLGCMFEO-UHFFFAOYSA-N
MW354.86 g/mol
LogP4.58
Rot. Bonds2

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

(2-chloro-4-pyridinyl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone (PubChem CID 46546069) has the molecular formula C19H15ClN2OS and a molecular weight of 354.86 g/mol. Its IUPAC name is (2-chloro-4-pyridinyl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(2-chloro-4-pyridinyl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
PubChem CID46546069
Molecular FormulaC19H15ClN2OS
Molecular Weight354.86 g/mol
Exact Mass354.06
IUPAC Name(2-chloro-4-pyridinyl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
SMILESO=C(c1ccnc(Cl)c1)N1CCc2sccc2C1c1ccccc1
InChIInChI=1S/C19H15ClN2OS/c20-17-12-14(6-9-21-17)19(23)22-10-7-16-15(8-11-24-16)18(22)13-4-2-1-3-5-13/h1-6,8-9,11-12,18H,7,10H2
InChIKeyWFMYBMBLGCMFEO-UHFFFAOYSA-N
XLogP4.58
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.86
LogP ≤ 54.58
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)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone with MolForge

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Related Compounds

(5,6-dichloro-3-pyridinyl)-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9245818
(2-chloro-4-pyridinyl)-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 93418573
(4-chloro-3-nitrophenyl)-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9245771
(4-bromophenyl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 21264434
furan-2-yl-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 26004409
[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone
CID 51590141
(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 33171337
1-methyl-5-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]pyridin-2-one
CID 138556110
(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-quinoxalin-2-ylmethanone
CID 46565494
(2-fluorophenyl)-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9451372
[4-(methylsulfanylmethyl)phenyl]-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 55429502
(2-chloro-5-nitrophenyl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 55429519

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-pyridinyl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The IUPAC name of (2-chloro-4-pyridinyl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone (CID 46546069) is (2-chloro-4-pyridinyl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone.
What is the SMILES notation for (2-chloro-4-pyridinyl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The canonical SMILES for (2-chloro-4-pyridinyl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone is O=C(c1ccnc(Cl)c1)N1CCc2sccc2C1c1ccccc1.
What is the InChIKey of (2-chloro-4-pyridinyl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The InChIKey is WFMYBMBLGCMFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2OS/c20-17-12-14(6-9-21-17)19(23)22-10-7-16-15(8-11-24-16)18(22)13-4-2-1-3-5-13/h1-6,8-9,11-12,18H,7,10H2.
What are the key properties of (2-chloro-4-pyridinyl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
(2-chloro-4-pyridinyl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone has a molecular weight of 354.86 g/mol, XLogP of 4.58, 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)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone is sourced from PubChem (CID 46546069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).