2-[6-chloro-3-(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carbonyl)indol-1-yl]-1-(3,4-difluorophenyl)ethanone

C29H24ClF2N3O2 — CID 15952413

IUPAC2-[6-chloro-3-(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carbonyl)indol-1-yl]-1-(3,4-difluorophenyl)ethanone
SMILESO=C(Cn1cc(C(=O)N2CCC3(CC2)CNc2ccccc23)c2ccc(Cl)cc21)c1ccc(F)c(F)c1
InChIInChI=1S/C29H24ClF2N3O2/c30-19-6-7-20-21(15-35(26(20)14-19)16-27(36)18-5-8-23(31)24(32)13-18)28(37)34-11-9-29(10-12-34)17-33-25-4-2-1-3-22(25)29/h1-8,13-15,33H,9-12,16-17H2
InChIKeyKBSFQLLTPPKXGG-UHFFFAOYSA-N
MW519.98 g/mol
LogP6.06
Rot. Bonds4

About 2-[6-chloro-3-(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carbonyl)indol-1-yl]-1-(3,4-difluorophenyl)ethanone

2-[6-chloro-3-(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carbonyl)indol-1-yl]-1-(3,4-difluorophenyl)ethanone (PubChem CID 15952413) has the molecular formula C29H24ClF2N3O2 and a molecular weight of 519.98 g/mol. Its IUPAC name is 2-[6-chloro-3-(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carbonyl)indol-1-yl]-1-(3,4-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-[6-chloro-3-(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carbonyl)indol-1-yl]-1-(3,4-difluorophenyl)ethanone
PubChem CID15952413
Molecular FormulaC29H24ClF2N3O2
Molecular Weight519.98 g/mol
Exact Mass519.15
IUPAC Name2-[6-chloro-3-(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carbonyl)indol-1-yl]-1-(3,4-difluorophenyl)ethanone
SMILESO=C(Cn1cc(C(=O)N2CCC3(CC2)CNc2ccccc23)c2ccc(Cl)cc21)c1ccc(F)c(F)c1
InChIInChI=1S/C29H24ClF2N3O2/c30-19-6-7-20-21(15-35(26(20)14-19)16-27(36)18-5-8-23(31)24(32)13-18)28(37)34-11-9-29(10-12-34)17-33-25-4-2-1-3-22(25)29/h1-8,13-15,33H,9-12,16-17H2
InChIKeyKBSFQLLTPPKXGG-UHFFFAOYSA-N
XLogP6.06
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.98
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[6-chloro-3-(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carbonyl)indol-1-yl]-1-(3,4-difluorophenyl)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

[6-chloro-1-[2-(diethylamino)ethyl]indol-3-yl]-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone
CID 15952415
2-[6-chloro-3-(piperidine-1-carbonyl)indol-1-yl]-1-(3,5-difluorophenyl)ethanone
CID 141166813
2-[6-chloro-3-[4-(2-fluorophenyl)-4-hydroxypiperidine-1-carbonyl]indol-1-yl]-N-methylacetamide
CID 59429679
2-[6-chloro-3-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)indol-1-yl]-1-pyridin-2-ylethanone
CID 59657586
[6-chloro-1-(2-pyridin-4-ylethyl)indol-3-yl]-[4-(4-fluoro-2-prop-1-en-2-ylphenyl)-4-methylpiperidin-1-yl]methanone
CID 70319943
6-chlorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylic acid
CID 90232150
ethane;phosphanyl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone
CID 143386492
1'-[6-chloro-1-(2-morpholin-4-yl-2-oxoethyl)indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one
CID 59657615
2-[6-chloro-3-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carbonyl)indol-1-yl]acetonitrile
CID 15953020
prop-1-en-2-yl 2-[6-chloro-3-(5-fluoro-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carbonyl)indol-1-yl]acetate
CID 89379489
[6-chloro-1-[[(2R)-pyrrolidin-2-yl]methyl]indol-3-yl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone
CID 69014501
[6-chloro-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]indol-3-yl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone
CID 11993729

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-3-(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carbonyl)indol-1-yl]-1-(3,4-difluorophenyl)ethanone?
The IUPAC name of 2-[6-chloro-3-(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carbonyl)indol-1-yl]-1-(3,4-difluorophenyl)ethanone (CID 15952413) is 2-[6-chloro-3-(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carbonyl)indol-1-yl]-1-(3,4-difluorophenyl)ethanone.
What is the SMILES notation for 2-[6-chloro-3-(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carbonyl)indol-1-yl]-1-(3,4-difluorophenyl)ethanone?
The canonical SMILES for 2-[6-chloro-3-(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carbonyl)indol-1-yl]-1-(3,4-difluorophenyl)ethanone is O=C(Cn1cc(C(=O)N2CCC3(CC2)CNc2ccccc23)c2ccc(Cl)cc21)c1ccc(F)c(F)c1.
What is the InChIKey of 2-[6-chloro-3-(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carbonyl)indol-1-yl]-1-(3,4-difluorophenyl)ethanone?
The InChIKey is KBSFQLLTPPKXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24ClF2N3O2/c30-19-6-7-20-21(15-35(26(20)14-19)16-27(36)18-5-8-23(31)24(32)13-18)28(37)34-11-9-29(10-12-34)17-33-25-4-2-1-3-22(25)29/h1-8,13-15,33H,9-12,16-17H2.
What are the key properties of 2-[6-chloro-3-(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carbonyl)indol-1-yl]-1-(3,4-difluorophenyl)ethanone?
2-[6-chloro-3-(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carbonyl)indol-1-yl]-1-(3,4-difluorophenyl)ethanone has a molecular weight of 519.98 g/mol, XLogP of 6.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-3-(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carbonyl)indol-1-yl]-1-(3,4-difluorophenyl)ethanone is sourced from PubChem (CID 15952413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).