2-[3,5-difluoro-2-[(E)-2-methoxyethenyl]phenyl]-7-(3,5-dimethylphenyl)thieno[2,3-c]pyridine

C24H19F2NOS — CID 164939786

IUPAC2-[3,5-difluoro-2-[(E)-2-methoxyethenyl]phenyl]-7-(3,5-dimethylphenyl)thieno[2,3-c]pyridine
SMILESCO/C=C/c1c(F)cc(F)cc1-c1cc2ccnc(-c3cc(C)cc(C)c3)c2s1
InChIInChI=1S/C24H19F2NOS/c1-14-8-15(2)10-17(9-14)23-24-16(4-6-27-23)11-22(29-24)20-12-18(25)13-21(26)19(20)5-7-28-3/h4-13H,1-3H3/b7-5+
InChIKeyKSFBPKKDMSEYND-FNORWQNLSA-N
MW407.49 g/mol
LogP7.14
Rot. Bonds4

About 2-[3,5-difluoro-2-[(E)-2-methoxyethenyl]phenyl]-7-(3,5-dimethylphenyl)thieno[2,3-c]pyridine

2-[3,5-difluoro-2-[(E)-2-methoxyethenyl]phenyl]-7-(3,5-dimethylphenyl)thieno[2,3-c]pyridine (PubChem CID 164939786) has the molecular formula C24H19F2NOS and a molecular weight of 407.49 g/mol. Its IUPAC name is 2-[3,5-difluoro-2-[(E)-2-methoxyethenyl]phenyl]-7-(3,5-dimethylphenyl)thieno[2,3-c]pyridine.

Molecular Properties

Compound Name2-[3,5-difluoro-2-[(E)-2-methoxyethenyl]phenyl]-7-(3,5-dimethylphenyl)thieno[2,3-c]pyridine
PubChem CID164939786
Molecular FormulaC24H19F2NOS
Molecular Weight407.49 g/mol
Exact Mass407.12
IUPAC Name2-[3,5-difluoro-2-[(E)-2-methoxyethenyl]phenyl]-7-(3,5-dimethylphenyl)thieno[2,3-c]pyridine
SMILESCO/C=C/c1c(F)cc(F)cc1-c1cc2ccnc(-c3cc(C)cc(C)c3)c2s1
InChIInChI=1S/C24H19F2NOS/c1-14-8-15(2)10-17(9-14)23-24-16(4-6-27-23)11-22(29-24)20-12-18(25)13-21(26)19(20)5-7-28-3/h4-13H,1-3H3/b7-5+
InChIKeyKSFBPKKDMSEYND-FNORWQNLSA-N
XLogP7.14
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.49
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(-)-(R)-2-(3-(1-(5-fluoropyridin-2-yl)ethyl)benzo[b]thiophen-2-yl)-N,N-dimethylethanamine
CID 11493620
(-)-(R)-2-(3-(1-(3-fluoropyridin-2-yl)ethyl)benzo[b]thiophen-2-yl)-N,N-dimethylethanamine
CID 46884152
2-[3-(Difluoromethyl)-1-benzothiophen-2-yl]pyridine
CID 46228237
4-Fluoro-5-phenylthieno[2,3-c]pyridine
CID 177851934
1-(1-Benzothiophen-2-yl)isoquinoline
CID 251368
2-(Dibenzo[b,d]thiophen-4-yl)pyridine
CID 59245852
2-Phenyl-3-azadibenzothiophene
CID 66688052
Pyridyldibenzothiophene
CID 66700387
Phenylbenzothieno[2,3-c]pyridine
CID 102366954
(2-{3-[1-(5-Fluoro-pyridin-2-yl)-ethyl]-benzo[b]thiophen-2-yl}-ethyl)-dimethyl-amine
CID 11522734
(2-{3-[1-(3-Fluoro-pyridin-2-yl)-ethyl]-benzo[b]thiophen-2-yl}-ethyl)-dimethyl-amine
CID 11602341
(2-{3-[1-(3-Fluoro-pyridin-2-yl)-vinyl]-benzo[b]thiophen-2-yl}-ethyl)-dimethyl-amine
CID 11616834

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-difluoro-2-[(E)-2-methoxyethenyl]phenyl]-7-(3,5-dimethylphenyl)thieno[2,3-c]pyridine?
The IUPAC name of 2-[3,5-difluoro-2-[(E)-2-methoxyethenyl]phenyl]-7-(3,5-dimethylphenyl)thieno[2,3-c]pyridine (CID 164939786) is 2-[3,5-difluoro-2-[(E)-2-methoxyethenyl]phenyl]-7-(3,5-dimethylphenyl)thieno[2,3-c]pyridine.
What is the SMILES notation for 2-[3,5-difluoro-2-[(E)-2-methoxyethenyl]phenyl]-7-(3,5-dimethylphenyl)thieno[2,3-c]pyridine?
The canonical SMILES for 2-[3,5-difluoro-2-[(E)-2-methoxyethenyl]phenyl]-7-(3,5-dimethylphenyl)thieno[2,3-c]pyridine is CO/C=C/c1c(F)cc(F)cc1-c1cc2ccnc(-c3cc(C)cc(C)c3)c2s1.
What is the InChIKey of 2-[3,5-difluoro-2-[(E)-2-methoxyethenyl]phenyl]-7-(3,5-dimethylphenyl)thieno[2,3-c]pyridine?
The InChIKey is KSFBPKKDMSEYND-FNORWQNLSA-N. The full InChI is InChI=1S/C24H19F2NOS/c1-14-8-15(2)10-17(9-14)23-24-16(4-6-27-23)11-22(29-24)20-12-18(25)13-21(26)19(20)5-7-28-3/h4-13H,1-3H3/b7-5+.
What are the key properties of 2-[3,5-difluoro-2-[(E)-2-methoxyethenyl]phenyl]-7-(3,5-dimethylphenyl)thieno[2,3-c]pyridine?
2-[3,5-difluoro-2-[(E)-2-methoxyethenyl]phenyl]-7-(3,5-dimethylphenyl)thieno[2,3-c]pyridine has a molecular weight of 407.49 g/mol, XLogP of 7.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-difluoro-2-[(E)-2-methoxyethenyl]phenyl]-7-(3,5-dimethylphenyl)thieno[2,3-c]pyridine is sourced from PubChem (CID 164939786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).