5-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1'-ethylspiro[1H-indole-3,4'-piperidine]-2-one

C27H27Cl2FN4O2 — CID 50938749

IUPAC5-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1'-ethylspiro[1H-indole-3,4'-piperidine]-2-one
SMILESCCN1CCC2(CC1)C(=O)Nc1ccc(-c3cnc(N)c(O[C@H](C)c4c(Cl)ccc(F)c4Cl)c3)cc12
InChIInChI=1S/C27H27Cl2FN4O2/c1-3-34-10-8-27(9-11-34)18-12-16(4-7-21(18)33-26(27)35)17-13-22(25(31)32-14-17)36-15(2)23-19(28)5-6-20(30)24(23)29/h4-7,12-15H,3,8-11H2,1-2H3,(H2,31,32)(H,33,35)/t15-/m1/s1
InChIKeyPJZGHKBFEFJGHK-OAHLLOKOSA-N
MW529.44 g/mol
LogP6.22
Rot. Bonds5

About 5-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1'-ethylspiro[1H-indole-3,4'-piperidine]-2-one

5-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1'-ethylspiro[1H-indole-3,4'-piperidine]-2-one (PubChem CID 50938749) has the molecular formula C27H27Cl2FN4O2 and a molecular weight of 529.44 g/mol. Its IUPAC name is 5-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1'-ethylspiro[1H-indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name5-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1'-ethylspiro[1H-indole-3,4'-piperidine]-2-one
PubChem CID50938749
Molecular FormulaC27H27Cl2FN4O2
Molecular Weight529.44 g/mol
Exact Mass528.15
IUPAC Name5-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1'-ethylspiro[1H-indole-3,4'-piperidine]-2-one
SMILESCCN1CCC2(CC1)C(=O)Nc1ccc(-c3cnc(N)c(O[C@H](C)c4c(Cl)ccc(F)c4Cl)c3)cc12
InChIInChI=1S/C27H27Cl2FN4O2/c1-3-34-10-8-27(9-11-34)18-12-16(4-7-21(18)33-26(27)35)17-13-22(25(31)32-14-17)36-15(2)23-19(28)5-6-20(30)24(23)29/h4-7,12-15H,3,8-11H2,1-2H3,(H2,31,32)(H,33,35)/t15-/m1/s1
InChIKeyPJZGHKBFEFJGHK-OAHLLOKOSA-N
XLogP6.22
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.44
LogP ≤ 56.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1'-ethylspiro[1H-indole-3,4'-piperidine]-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1'-ethylspiro[1H-indole-3,4'-piperidine]-2-one?
The IUPAC name of 5-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1'-ethylspiro[1H-indole-3,4'-piperidine]-2-one (CID 50938749) is 5-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1'-ethylspiro[1H-indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 5-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1'-ethylspiro[1H-indole-3,4'-piperidine]-2-one?
The canonical SMILES for 5-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1'-ethylspiro[1H-indole-3,4'-piperidine]-2-one is CCN1CCC2(CC1)C(=O)Nc1ccc(-c3cnc(N)c(O[C@H](C)c4c(Cl)ccc(F)c4Cl)c3)cc12.
What is the InChIKey of 5-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1'-ethylspiro[1H-indole-3,4'-piperidine]-2-one?
The InChIKey is PJZGHKBFEFJGHK-OAHLLOKOSA-N. The full InChI is InChI=1S/C27H27Cl2FN4O2/c1-3-34-10-8-27(9-11-34)18-12-16(4-7-21(18)33-26(27)35)17-13-22(25(31)32-14-17)36-15(2)23-19(28)5-6-20(30)24(23)29/h4-7,12-15H,3,8-11H2,1-2H3,(H2,31,32)(H,33,35)/t15-/m1/s1.
What are the key properties of 5-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1'-ethylspiro[1H-indole-3,4'-piperidine]-2-one?
5-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1'-ethylspiro[1H-indole-3,4'-piperidine]-2-one has a molecular weight of 529.44 g/mol, XLogP of 6.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1'-ethylspiro[1H-indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 50938749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).