6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-7-fluoro-4-(3-methoxy-4-pyridinyl)-N,N-dimethyl-1-benzothiophene-2-carboxamide

C24H24FN3O3S — CID 177170867

IUPAC6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-7-fluoro-4-(3-methoxy-4-pyridinyl)-N,N-dimethyl-1-benzothiophene-2-carboxamide
SMILESCOc1cnccc1-c1cc(C2=CCCN(C(C)=O)C2)c(F)c2sc(C(=O)N(C)C)cc12
InChIInChI=1S/C24H24FN3O3S/c1-14(29)28-9-5-6-15(13-28)17-10-18(16-7-8-26-12-20(16)31-4)19-11-21(24(30)27(2)3)32-23(19)22(17)25/h6-8,10-12H,5,9,13H2,1-4H3
InChIKeyQATYWKPNOIRFLD-UHFFFAOYSA-N
MW453.54 g/mol
LogP4.45
Rot. Bonds4

About 6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-7-fluoro-4-(3-methoxy-4-pyridinyl)-N,N-dimethyl-1-benzothiophene-2-carboxamide

6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-7-fluoro-4-(3-methoxy-4-pyridinyl)-N,N-dimethyl-1-benzothiophene-2-carboxamide (PubChem CID 177170867) has the molecular formula C24H24FN3O3S and a molecular weight of 453.54 g/mol. Its IUPAC name is 6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-7-fluoro-4-(3-methoxy-4-pyridinyl)-N,N-dimethyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-7-fluoro-4-(3-methoxy-4-pyridinyl)-N,N-dimethyl-1-benzothiophene-2-carboxamide
PubChem CID177170867
Molecular FormulaC24H24FN3O3S
Molecular Weight453.54 g/mol
Exact Mass453.15
IUPAC Name6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-7-fluoro-4-(3-methoxy-4-pyridinyl)-N,N-dimethyl-1-benzothiophene-2-carboxamide
SMILESCOc1cnccc1-c1cc(C2=CCCN(C(C)=O)C2)c(F)c2sc(C(=O)N(C)C)cc12
InChIInChI=1S/C24H24FN3O3S/c1-14(29)28-9-5-6-15(13-28)17-10-18(16-7-8-26-12-20(16)31-4)19-11-21(24(30)27(2)3)32-23(19)22(17)25/h6-8,10-12H,5,9,13H2,1-4H3
InChIKeyQATYWKPNOIRFLD-UHFFFAOYSA-N
XLogP4.45
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-7-fluoro-4-(3-methoxy-4-pyridinyl)-N,N-dimethyl-1-benzothiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(4-fluoro-2-methoxyphenyl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one
CID 56677280
1-Benzothiophen-2-yl-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone
CID 71724943
5-methoxy-N-methyl-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 137639227
5-methoxy-N-methyl-N-(pyridin-2-ylmethyl)-1-benzothiophene-2-carboxamide
CID 137651813
(5-fluorobenzo[b]thiophen-2-yl)((1R,5S)-3-(pyridin-3-yloxy)-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 119103725
Pyridin-3-yl 4-(7-fluoro-1-benzothiophene-2-carbonyl)piperazine-1-carboxylate
CID 58417801
Pyridin-3-yl 4-(6-fluoro-3-methyl-1-benzothiophene-2-carbonyl)piperazine-1-carboxylate
CID 58417818
Pyridin-3-yl 4-(6-fluoro-1-benzothiophene-2-carbonyl)piperazine-1-carboxylate
CID 58417828
Pyridin-3-yl 4-(7-fluoro-3-methyl-1-benzothiophene-2-carbonyl)piperazine-1-carboxylate
CID 58417857
Pyridin-3-yl 4-(4-fluoro-3-methyl-1-benzothiophene-2-carbonyl)piperazine-1-carboxylate
CID 58417876
Pyridin-3-yl 4-(5-fluoro-1-benzothiophene-2-carbonyl)piperazine-1-carboxylate
CID 58417885
Pyridin-3-yl 4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazine-1-carboxylate
CID 58417894

Frequently Asked Questions

What is the IUPAC name of 6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-7-fluoro-4-(3-methoxy-4-pyridinyl)-N,N-dimethyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-7-fluoro-4-(3-methoxy-4-pyridinyl)-N,N-dimethyl-1-benzothiophene-2-carboxamide (CID 177170867) is 6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-7-fluoro-4-(3-methoxy-4-pyridinyl)-N,N-dimethyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-7-fluoro-4-(3-methoxy-4-pyridinyl)-N,N-dimethyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-7-fluoro-4-(3-methoxy-4-pyridinyl)-N,N-dimethyl-1-benzothiophene-2-carboxamide is COc1cnccc1-c1cc(C2=CCCN(C(C)=O)C2)c(F)c2sc(C(=O)N(C)C)cc12.
What is the InChIKey of 6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-7-fluoro-4-(3-methoxy-4-pyridinyl)-N,N-dimethyl-1-benzothiophene-2-carboxamide?
The InChIKey is QATYWKPNOIRFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O3S/c1-14(29)28-9-5-6-15(13-28)17-10-18(16-7-8-26-12-20(16)31-4)19-11-21(24(30)27(2)3)32-23(19)22(17)25/h6-8,10-12H,5,9,13H2,1-4H3.
What are the key properties of 6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-7-fluoro-4-(3-methoxy-4-pyridinyl)-N,N-dimethyl-1-benzothiophene-2-carboxamide?
6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-7-fluoro-4-(3-methoxy-4-pyridinyl)-N,N-dimethyl-1-benzothiophene-2-carboxamide has a molecular weight of 453.54 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-7-fluoro-4-(3-methoxy-4-pyridinyl)-N,N-dimethyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 177170867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).