1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]ethanone

C23H20FN3O2S — CID 55733728

IUPAC1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]ethanone
SMILESCc1ccc(-c2nc(CC(=O)N3CC=C(c4c[nH]c5cc(F)ccc45)CC3)cs2)o1
InChIInChI=1S/C23H20FN3O2S/c1-14-2-5-21(29-14)23-26-17(13-30-23)11-22(28)27-8-6-15(7-9-27)19-12-25-20-10-16(24)3-4-18(19)20/h2-6,10,12-13,25H,7-9,11H2,1H3
InChIKeyXNGMZQPADSSJCC-UHFFFAOYSA-N
MW421.50 g/mol
LogP5.19
Rot. Bonds4

About 1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]ethanone

1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]ethanone (PubChem CID 55733728) has the molecular formula C23H20FN3O2S and a molecular weight of 421.50 g/mol. Its IUPAC name is 1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]ethanone
PubChem CID55733728
Molecular FormulaC23H20FN3O2S
Molecular Weight421.50 g/mol
Exact Mass421.13
IUPAC Name1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]ethanone
SMILESCc1ccc(-c2nc(CC(=O)N3CC=C(c4c[nH]c5cc(F)ccc45)CC3)cs2)o1
InChIInChI=1S/C23H20FN3O2S/c1-14-2-5-21(29-14)23-26-17(13-30-23)11-22(28)27-8-6-15(7-9-27)19-12-25-20-10-16(24)3-4-18(19)20/h2-6,10,12-13,25H,7-9,11H2,1H3
InChIKeyXNGMZQPADSSJCC-UHFFFAOYSA-N
XLogP5.19
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.50
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]ethanone with MolForge

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Related Compounds

1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(3-methylphenyl)ethanone
CID 113087040
[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
CID 48593711
2-(2,3-dihydro-1-benzofuran-5-yl)-1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 55730517
1-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2-methylphenyl)ethanone
CID 113086905
3-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
CID 55730680
6-fluoro-3-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 55848383
1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-4-phenylbutan-1-one
CID 60516306
2-(4-chlorophenyl)sulfanyl-1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 55733477
4-(6-fluoro-1H-indol-3-yl)-N-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 113087048
1-(4-aminopiperidin-1-yl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]ethanone;dihydrochloride
CID 119375215
1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylsulfanylpropan-1-one
CID 56815883
1-(4-methoxypiperidin-1-yl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]ethanone
CID 56811934

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]ethanone (CID 55733728) is 1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]ethanone is Cc1ccc(-c2nc(CC(=O)N3CC=C(c4c[nH]c5cc(F)ccc45)CC3)cs2)o1.
What is the InChIKey of 1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]ethanone?
The InChIKey is XNGMZQPADSSJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O2S/c1-14-2-5-21(29-14)23-26-17(13-30-23)11-22(28)27-8-6-15(7-9-27)19-12-25-20-10-16(24)3-4-18(19)20/h2-6,10,12-13,25H,7-9,11H2,1H3.
What are the key properties of 1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]ethanone?
1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]ethanone has a molecular weight of 421.50 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 55733728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).