(2,4-dichloro-5-fluorophenyl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone

C20H15Cl2FN2O — CID 46699903

IUPAC(2,4-dichloro-5-fluorophenyl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESO=C(c1cc(F)c(Cl)cc1Cl)N1CC=C(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C20H15Cl2FN2O/c21-16-10-17(22)18(23)9-14(16)20(26)25-7-5-12(6-8-25)15-11-24-19-4-2-1-3-13(15)19/h1-5,9-11,24H,6-8H2
InChIKeyLVTNYMJXOVVUCT-UHFFFAOYSA-N
MW389.26 g/mol
LogP5.54
Rot. Bonds2

About (2,4-dichloro-5-fluorophenyl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone

(2,4-dichloro-5-fluorophenyl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 46699903) has the molecular formula C20H15Cl2FN2O and a molecular weight of 389.26 g/mol. Its IUPAC name is (2,4-dichloro-5-fluorophenyl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dichloro-5-fluorophenyl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID46699903
Molecular FormulaC20H15Cl2FN2O
Molecular Weight389.26 g/mol
Exact Mass388.05
IUPAC Name(2,4-dichloro-5-fluorophenyl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESO=C(c1cc(F)c(Cl)cc1Cl)N1CC=C(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C20H15Cl2FN2O/c21-16-10-17(22)18(23)9-14(16)20(26)25-7-5-12(6-8-25)15-11-24-19-4-2-1-3-13(15)19/h1-5,9-11,24H,6-8H2
InChIKeyLVTNYMJXOVVUCT-UHFFFAOYSA-N
XLogP5.54
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.26
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze (2,4-dichloro-5-fluorophenyl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone 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-chlorophenyl)-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 113087028
(2,5-dicyclopropyl-1H-pyrrol-3-yl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 166245925
[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(3-fluorophenyl)methanone
CID 84559915
N-(2,4-difluorophenyl)-4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 46277479
[4-(6-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(3-fluorophenyl)methanone
CID 113087091
[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(3-chlorophenyl)methanone
CID 84558810
(4R)-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]imidazolidin-2-one
CID 97083905
3-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
CID 71867021
[4-(6-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(3-methylphenyl)methanone
CID 113087088
(1-hydroxycyclopentyl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 110931231
[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(3-fluorophenyl)methanone
CID 113086869
(3-bromophenyl)-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 84558955

Frequently Asked Questions

What is the IUPAC name of (2,4-dichloro-5-fluorophenyl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of (2,4-dichloro-5-fluorophenyl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 46699903) is (2,4-dichloro-5-fluorophenyl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for (2,4-dichloro-5-fluorophenyl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for (2,4-dichloro-5-fluorophenyl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone is O=C(c1cc(F)c(Cl)cc1Cl)N1CC=C(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of (2,4-dichloro-5-fluorophenyl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is LVTNYMJXOVVUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2FN2O/c21-16-10-17(22)18(23)9-14(16)20(26)25-7-5-12(6-8-25)15-11-24-19-4-2-1-3-13(15)19/h1-5,9-11,24H,6-8H2.
What are the key properties of (2,4-dichloro-5-fluorophenyl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
(2,4-dichloro-5-fluorophenyl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 389.26 g/mol, XLogP of 5.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichloro-5-fluorophenyl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 46699903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).