[1-(2,6-dichloropyridine-3-carbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-(4-pyrazol-1-ylphenyl)methanone

C28H22Cl2FN5O2 — CID 171683969

IUPAC[1-(2,6-dichloropyridine-3-carbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-(4-pyrazol-1-ylphenyl)methanone
SMILESO=C(c1ccc(-n2cccn2)cc1)N1CCC2(CC1)CN(C(=O)c1ccc(Cl)nc1Cl)c1ccc(F)cc12
InChIInChI=1S/C28H22Cl2FN5O2/c29-24-9-7-21(25(30)33-24)27(38)35-17-28(22-16-19(31)4-8-23(22)35)10-14-34(15-11-28)26(37)18-2-5-20(6-3-18)36-13-1-12-32-36/h1-9,12-13,16H,10-11,14-15,17H2
InChIKeyLPSMPGOYSYAGGO-UHFFFAOYSA-N
MW550.42 g/mol
LogP5.55
Rot. Bonds3

About [1-(2,6-dichloropyridine-3-carbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-(4-pyrazol-1-ylphenyl)methanone

[1-(2,6-dichloropyridine-3-carbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-(4-pyrazol-1-ylphenyl)methanone (PubChem CID 171683969) has the molecular formula C28H22Cl2FN5O2 and a molecular weight of 550.42 g/mol. Its IUPAC name is [1-(2,6-dichloropyridine-3-carbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-(4-pyrazol-1-ylphenyl)methanone.

Molecular Properties

Compound Name[1-(2,6-dichloropyridine-3-carbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-(4-pyrazol-1-ylphenyl)methanone
PubChem CID171683969
Molecular FormulaC28H22Cl2FN5O2
Molecular Weight550.42 g/mol
Exact Mass549.11
IUPAC Name[1-(2,6-dichloropyridine-3-carbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-(4-pyrazol-1-ylphenyl)methanone
SMILESO=C(c1ccc(-n2cccn2)cc1)N1CCC2(CC1)CN(C(=O)c1ccc(Cl)nc1Cl)c1ccc(F)cc12
InChIInChI=1S/C28H22Cl2FN5O2/c29-24-9-7-21(25(30)33-24)27(38)35-17-28(22-16-19(31)4-8-23(22)35)10-14-34(15-11-28)26(37)18-2-5-20(6-3-18)36-13-1-12-32-36/h1-9,12-13,16H,10-11,14-15,17H2
InChIKeyLPSMPGOYSYAGGO-UHFFFAOYSA-N
XLogP5.55
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.42
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze [1-(2,6-dichloropyridine-3-carbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-(4-pyrazol-1-ylphenyl)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

[1-(2-chloro-5-methylsulfonylbenzoyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-(4-ethylphenyl)methanone
CID 171678394
[1-(4,6-dichloropyridine-2-carbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-(3,4-dimethoxyphenyl)methanone
CID 171698730
(2-chloro-4-pyridinyl)-(5-fluorospiro[2H-indole-3,4'-piperidin-1-ium]-1-yl)methanone chloride
CID 87375659
5-fluorospiro[2H-indole-3,4'-piperidine]-1,1'-dicarboxylic acid
CID 149159822
3-fluoro-1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 119258518
(3,5-dichlorophenyl)-(5-fluoro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone
CID 23989391
methyl 4-[[1-(2-chloropyridine-4-carbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]methyl]benzoate
CID 23855468
(E)-N-benzyl-4-[1'-(3,4-dichlorobenzoyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-4-oxobut-2-enamide
CID 171683646
[5-fluoro-1-[4-(methylamino)-1,2,5-thiadiazole-3-carbonyl]spiro[2H-indole-3,4'-piperidine]-1'-yl]-(4-phenoxyphenyl)methanone
CID 171684597
(3S)-3-methyl-1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 125148601
piperazin-1-yl-(4-pyrazol-1-ylphenyl)methanone;hydrochloride
CID 119401221
[5-fluoro-1'-(3-fluoro-2-nitrobenzoyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-(3-fluoro-2-methylphenyl)methanone
CID 171684331

Frequently Asked Questions

What is the IUPAC name of [1-(2,6-dichloropyridine-3-carbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-(4-pyrazol-1-ylphenyl)methanone?
The IUPAC name of [1-(2,6-dichloropyridine-3-carbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-(4-pyrazol-1-ylphenyl)methanone (CID 171683969) is [1-(2,6-dichloropyridine-3-carbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-(4-pyrazol-1-ylphenyl)methanone.
What is the SMILES notation for [1-(2,6-dichloropyridine-3-carbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-(4-pyrazol-1-ylphenyl)methanone?
The canonical SMILES for [1-(2,6-dichloropyridine-3-carbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-(4-pyrazol-1-ylphenyl)methanone is O=C(c1ccc(-n2cccn2)cc1)N1CCC2(CC1)CN(C(=O)c1ccc(Cl)nc1Cl)c1ccc(F)cc12.
What is the InChIKey of [1-(2,6-dichloropyridine-3-carbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-(4-pyrazol-1-ylphenyl)methanone?
The InChIKey is LPSMPGOYSYAGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22Cl2FN5O2/c29-24-9-7-21(25(30)33-24)27(38)35-17-28(22-16-19(31)4-8-23(22)35)10-14-34(15-11-28)26(37)18-2-5-20(6-3-18)36-13-1-12-32-36/h1-9,12-13,16H,10-11,14-15,17H2.
What are the key properties of [1-(2,6-dichloropyridine-3-carbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-(4-pyrazol-1-ylphenyl)methanone?
[1-(2,6-dichloropyridine-3-carbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-(4-pyrazol-1-ylphenyl)methanone has a molecular weight of 550.42 g/mol, XLogP of 5.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-dichloropyridine-3-carbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-(4-pyrazol-1-ylphenyl)methanone is sourced from PubChem (CID 171683969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).