2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

C20H24FN3O3S — CID 60516414

IUPAC2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCN(CC(=O)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C20H24FN3O3S/c1-23(16-6-9-28(26,27)13-16)12-20(25)24-7-4-14(5-8-24)18-11-22-19-10-15(21)2-3-17(18)19/h2-4,10-11,16,22H,5-9,12-13H2,1H3
InChIKeyOBYCSFCZANVDOE-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.04
Rot. Bonds4

About 2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 60516414) has the molecular formula C20H24FN3O3S and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID60516414
Molecular FormulaC20H24FN3O3S
Molecular Weight405.50 g/mol
Exact Mass405.15
IUPAC Name2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCN(CC(=O)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C20H24FN3O3S/c1-23(16-6-9-28(26,27)13-16)12-20(25)24-7-4-14(5-8-24)18-11-22-19-10-15(21)2-3-17(18)19/h2-4,10-11,16,22H,5-9,12-13H2,1H3
InChIKeyOBYCSFCZANVDOE-UHFFFAOYSA-N
XLogP2.04
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone 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

2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 125179585
4-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide
CID 60516211
1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(3-methylphenyl)ethanone
CID 113087040
(5S)-5-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one
CID 95045762
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
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
1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylsulfanylpropan-1-one
CID 56815883
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
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
2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 55730651
(4S)-4-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-1,3-thiazolidin-2-one
CID 124505944

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of 2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (CID 60516414) is 2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is CN(CC(=O)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is OBYCSFCZANVDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3S/c1-23(16-6-9-28(26,27)13-16)12-20(25)24-7-4-14(5-8-24)18-11-22-19-10-15(21)2-3-17(18)19/h2-4,10-11,16,22H,5-9,12-13H2,1H3.
What are the key properties of 2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 405.50 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 60516414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).