CID 71023081

C28H28Cl2FN3O4 — CID 71023081

IUPAC—
SMILESO=C(O)C1CC(NC(=O)[C@@H]2NC3(CCCCC3)[C@@]3(C(=O)Nc4cc(Cl)ccc43)[C@H]2c2cccc(Cl)c2F)C1
InChIInChI=1S/C28H28Cl2FN3O4/c29-15-7-8-18-20(13-15)33-26(38)28(18)21(17-5-4-6-19(30)22(17)31)23(34-27(28)9-2-1-3-10-27)24(35)32-16-11-14(12-16)25(36)37/h4-8,13-14,16,21,23,34H,1-3,9-12H2,(H,32,35)(H,33,38)(H,36,37)/t14?,16?,21-,23+,28+/m0/s1
InChIKeyDZYYWNZGJJMGEO-VJFLUZFSSA-N
MW560.45 g/mol
LogP4.76
Rot. Bonds4

About CID 71023081

CID 71023081 (PubChem CID 71023081) has the molecular formula C28H28Cl2FN3O4 and a molecular weight of 560.45 g/mol.

Molecular Properties

Compound NameCID 71023081
PubChem CID71023081
Molecular FormulaC28H28Cl2FN3O4
Molecular Weight560.45 g/mol
Exact Mass559.14
IUPAC Name—
SMILESO=C(O)C1CC(NC(=O)[C@@H]2NC3(CCCCC3)[C@@]3(C(=O)Nc4cc(Cl)ccc43)[C@H]2c2cccc(Cl)c2F)C1
InChIInChI=1S/C28H28Cl2FN3O4/c29-15-7-8-18-20(13-15)33-26(38)28(18)21(17-5-4-6-19(30)22(17)31)23(34-27(28)9-2-1-3-10-27)24(35)32-16-11-14(12-16)25(36)37/h4-8,13-14,16,21,23,34H,1-3,9-12H2,(H,32,35)(H,33,38)(H,36,37)/t14?,16?,21-,23+,28+/m0/s1
InChIKeyDZYYWNZGJJMGEO-VJFLUZFSSA-N
XLogP4.76
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.45
LogP ≤ 54.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze CID 71023081 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

Alrizomadlin
CID 91972012
(2'S,3R,4'S,5'R)-6-Chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-N-(trans-4-hydroxycyclohexyl)-2-oxo-1,2-dihydrospiro(indole-3,3'-pyrrolidine)-5'-carboxamide
CID 53476877
Spiro-oxindole, 1
CID 11351960
(2'R,3S,4'S,5'R) 6-chloro-4'-(3-chloro-2-fluoro-phenyl)-2'-(2,2-dimethyl-propyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylic acid (2-morpholin-4-yl-ethyl)-amide
CID 11512578
Spiro-oxindole, 5
CID 11526064
Spiro-oxindole, 10
CID 11541499
Spiro-oxindole, 7
CID 11620161
Spiro-oxindole, 6
CID 11663211
(2's,3r,4's,5'r)-N-(4-Carbamoylphenyl)-6-Chloro-4'-(3-Chloro-2-Fluorophenyl)-2'-(2,2-Dimethylpropyl)-2-Oxo-1,2-Dihydrospiro[indole-3,3'-Pyrrolidine]-5'-Carboxamide
CID 53236857
Spiro[3H-indole-3,3'-pyrrolidine]-5'-carboxamide,6-chloro-4'-(3-chloro-2-fluorophenyl)-N-[(3S)-3,4-dihydroxybutyl]-2'-(2,2-dimethylpropyl)-1,2-dihydro-2-oxo-,(2'R,3S,4'S,5'R)-
CID 11599265
(2'R,3S,3'S,5'R)-6-chloro-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-N-[2-(2-methoxyethoxy)ethyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 44606645
(2'R,3R,3'S,5'S)-6-chloro-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-N-(3-hydroxy-3-methylcyclobutyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 53477213

Frequently Asked Questions

What is the IUPAC name of CID 71023081?
The IUPAC name of CID 71023081 (CID 71023081) is not available.
What is the SMILES notation for CID 71023081?
The canonical SMILES for CID 71023081 is O=C(O)C1CC(NC(=O)[C@@H]2NC3(CCCCC3)[C@@]3(C(=O)Nc4cc(Cl)ccc43)[C@H]2c2cccc(Cl)c2F)C1.
What is the InChIKey of CID 71023081?
The InChIKey is DZYYWNZGJJMGEO-VJFLUZFSSA-N. The full InChI is InChI=1S/C28H28Cl2FN3O4/c29-15-7-8-18-20(13-15)33-26(38)28(18)21(17-5-4-6-19(30)22(17)31)23(34-27(28)9-2-1-3-10-27)24(35)32-16-11-14(12-16)25(36)37/h4-8,13-14,16,21,23,34H,1-3,9-12H2,(H,32,35)(H,33,38)(H,36,37)/t14?,16?,21-,23+,28+/m0/s1.
What are the key properties of CID 71023081?
CID 71023081 has a molecular weight of 560.45 g/mol, XLogP of 4.76, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71023081 is sourced from PubChem (CID 71023081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).