6-chloro-5-fluoro-3-(1-methylpiperidin-4-yl)-1-phenylindole-2-carboxylic acid

C21H20ClFN2O2 — CID 155377365

IUPAC6-chloro-5-fluoro-3-(1-methylpiperidin-4-yl)-1-phenylindole-2-carboxylic acid
SMILESCN1CCC(c2c(C(=O)O)n(-c3ccccc3)c3cc(Cl)c(F)cc23)CC1
InChIInChI=1S/C21H20ClFN2O2/c1-24-9-7-13(8-10-24)19-15-11-17(23)16(22)12-18(15)25(20(19)21(26)27)14-5-3-2-4-6-14/h2-6,11-13H,7-10H2,1H3,(H,26,27)
InChIKeyJYSXEDDJAACXLO-UHFFFAOYSA-N
MW386.85 g/mol
LogP4.93
Rot. Bonds3

About 6-chloro-5-fluoro-3-(1-methylpiperidin-4-yl)-1-phenylindole-2-carboxylic acid

6-chloro-5-fluoro-3-(1-methylpiperidin-4-yl)-1-phenylindole-2-carboxylic acid (PubChem CID 155377365) has the molecular formula C21H20ClFN2O2 and a molecular weight of 386.85 g/mol. Its IUPAC name is 6-chloro-5-fluoro-3-(1-methylpiperidin-4-yl)-1-phenylindole-2-carboxylic acid.

Molecular Properties

Compound Name6-chloro-5-fluoro-3-(1-methylpiperidin-4-yl)-1-phenylindole-2-carboxylic acid
PubChem CID155377365
Molecular FormulaC21H20ClFN2O2
Molecular Weight386.85 g/mol
Exact Mass386.12
IUPAC Name6-chloro-5-fluoro-3-(1-methylpiperidin-4-yl)-1-phenylindole-2-carboxylic acid
SMILESCN1CCC(c2c(C(=O)O)n(-c3ccccc3)c3cc(Cl)c(F)cc23)CC1
InChIInChI=1S/C21H20ClFN2O2/c1-24-9-7-13(8-10-24)19-15-11-17(23)16(22)12-18(15)25(20(19)21(26)27)14-5-3-2-4-6-14/h2-6,11-13H,7-10H2,1H3,(H,26,27)
InChIKeyJYSXEDDJAACXLO-UHFFFAOYSA-N
XLogP4.93
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.85
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-chloro-5-fluoro-3-(1-methylpiperidin-4-yl)-1-phenylindole-2-carboxylic acid 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

5-bromo-6-chloro-3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1-phenylindole-2-carboxylic acid
CID 155377404
6-bromo-5-fluoro-1-phenyl-3-piperidin-1-ylindole-2-carboxylic acid
CID 155377036
6-bromo-5-chloro-1-phenyl-3-piperidin-1-ylindole-2-carboxylic acid
CID 155376908
(E)-but-2-enedioic acid;1-(4-chlorophenyl)-3-(1-methylpiperidin-4-yl)indazole
CID 14032529
6-chloro-3-(diethylamino)-5-fluoro-1-phenylindole-2-carbonitrile
CID 155377235
methyl 3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-7-fluoro-4-oxo-1-phenylquinoline-2-carboxylate
CID 59846191
6-chloro-1-cyclopropyl-7-fluoro-4-oxoquinoline-3-carboxylic acid
CID 22277610
methyl 7-chloro-3-ethyl-4-oxo-1-phenylquinoline-2-carboxylate
CID 118601550
methyl 3-[[(1-acetylpiperidine-4-carbonyl)amino]methyl]-7-chloro-4-oxo-1-phenylquinoline-2-carboxylate
CID 71209084
5-[1-(2-chloro-6-fluorobenzoyl)piperidin-3-yl]-2-methyl-4-phenyl-1,2,4-triazol-3-one
CID 90540913
6-chloro-2-fluoro-9-phenylcarbazole
CID 142744719
8-chloro-1-cyclopropyl-6-fluoro-7-(1-methylpiperidin-4-yl)oxy-4-oxoquinoline-3-carboxylic acid
CID 54524977

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-fluoro-3-(1-methylpiperidin-4-yl)-1-phenylindole-2-carboxylic acid?
The IUPAC name of 6-chloro-5-fluoro-3-(1-methylpiperidin-4-yl)-1-phenylindole-2-carboxylic acid (CID 155377365) is 6-chloro-5-fluoro-3-(1-methylpiperidin-4-yl)-1-phenylindole-2-carboxylic acid.
What is the SMILES notation for 6-chloro-5-fluoro-3-(1-methylpiperidin-4-yl)-1-phenylindole-2-carboxylic acid?
The canonical SMILES for 6-chloro-5-fluoro-3-(1-methylpiperidin-4-yl)-1-phenylindole-2-carboxylic acid is CN1CCC(c2c(C(=O)O)n(-c3ccccc3)c3cc(Cl)c(F)cc23)CC1.
What is the InChIKey of 6-chloro-5-fluoro-3-(1-methylpiperidin-4-yl)-1-phenylindole-2-carboxylic acid?
The InChIKey is JYSXEDDJAACXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClFN2O2/c1-24-9-7-13(8-10-24)19-15-11-17(23)16(22)12-18(15)25(20(19)21(26)27)14-5-3-2-4-6-14/h2-6,11-13H,7-10H2,1H3,(H,26,27).
What are the key properties of 6-chloro-5-fluoro-3-(1-methylpiperidin-4-yl)-1-phenylindole-2-carboxylic acid?
6-chloro-5-fluoro-3-(1-methylpiperidin-4-yl)-1-phenylindole-2-carboxylic acid has a molecular weight of 386.85 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-fluoro-3-(1-methylpiperidin-4-yl)-1-phenylindole-2-carboxylic acid is sourced from PubChem (CID 155377365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).