1'-[[4-(6-fluoro-3-pyridinyl)isoquinolin-3-yl]methyl]spiro[azetidine-3,3'-indole]-2'-one

C25H19FN4O — CID 126544836

IUPAC1'-[[4-(6-fluoro-3-pyridinyl)isoquinolin-3-yl]methyl]spiro[azetidine-3,3'-indole]-2'-one
SMILESO=C1N(Cc2ncc3ccccc3c2-c2ccc(F)nc2)c2ccccc2C12CNC2
InChIInChI=1S/C25H19FN4O/c26-22-10-9-17(12-29-22)23-18-6-2-1-5-16(18)11-28-20(23)13-30-21-8-4-3-7-19(21)25(24(30)31)14-27-15-25/h1-12,27H,13-15H2
InChIKeyIDNBOMBSKOXELI-UHFFFAOYSA-N
MW410.45 g/mol
LogP3.82
Rot. Bonds3

About 1'-[[4-(6-fluoro-3-pyridinyl)isoquinolin-3-yl]methyl]spiro[azetidine-3,3'-indole]-2'-one

1'-[[4-(6-fluoro-3-pyridinyl)isoquinolin-3-yl]methyl]spiro[azetidine-3,3'-indole]-2'-one (PubChem CID 126544836) has the molecular formula C25H19FN4O and a molecular weight of 410.45 g/mol. Its IUPAC name is 1'-[[4-(6-fluoro-3-pyridinyl)isoquinolin-3-yl]methyl]spiro[azetidine-3,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-[[4-(6-fluoro-3-pyridinyl)isoquinolin-3-yl]methyl]spiro[azetidine-3,3'-indole]-2'-one
PubChem CID126544836
Molecular FormulaC25H19FN4O
Molecular Weight410.45 g/mol
Exact Mass410.15
IUPAC Name1'-[[4-(6-fluoro-3-pyridinyl)isoquinolin-3-yl]methyl]spiro[azetidine-3,3'-indole]-2'-one
SMILESO=C1N(Cc2ncc3ccccc3c2-c2ccc(F)nc2)c2ccccc2C12CNC2
InChIInChI=1S/C25H19FN4O/c26-22-10-9-17(12-29-22)23-18-6-2-1-5-16(18)11-28-20(23)13-30-21-8-4-3-7-19(21)25(24(30)31)14-27-15-25/h1-12,27H,13-15H2
InChIKeyIDNBOMBSKOXELI-UHFFFAOYSA-N
XLogP3.82
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1'-[[4-(6-fluoro-3-pyridinyl)isoquinolin-3-yl]methyl]spiro[azetidine-3,3'-indole]-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

Related Compounds

Linopirdine
CID 3932
2'-(2-fluorophenyl)-1-methyl-6',8',9',11'-tetrahydrospiro[azetidine-3,10'-pyrido[3',4':4,5]pyrrolo[2,3-f]isoquinolin]-7'(5'H)-one
CID 42646698
N-[(2S)-1-[(4R)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]propan-2-yl]quinoline-3-carboxamide
CID 50902705
1'-[(3-Methyl-2-pyridinyl)methyl]-1-(4-phenylphenyl)spiro[indole-3,4'-piperidine]-2-one
CID 57384999
N-[2-[(2S)-2-[2-[(4-fluorophenyl)methylamino]-2-oxoacetyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
CID 164623687
1-(3,3-Dimethyl-azetidin-1-yl)-2-{2-(3,5-dimethyl-phenyl)-3-[2-(4-pyridin-3-yl-butylamino)-ethyl]-1H-indol-5-yl}-2-methyl-propan-1-one
CID 44293347
6-[(7-fluoro-1,2,3,4-tetrahydroacridin-9-yl)amino]-N-[2-(1H-indol-3-yl)ethyl]hexanamide
CID 155510526
1H-Indole-3-acetamide, 1-[(4-fluorophenyl)methyl]-N-4-pyridinyl-
CID 9885185
3-(1-benzyl-5-fluoroindol-3-yl)-N-pyridin-4-ylpropanamide
CID 10571388
3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-pyridin-4-ylpropanamide
CID 10619345
4-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-pyridin-4-ylbutanamide
CID 10643934
2-(1-benzyl-5-fluoroindol-3-yl)-N-pyridin-4-ylacetamide
CID 10784684

Frequently Asked Questions

What is the IUPAC name of 1'-[[4-(6-fluoro-3-pyridinyl)isoquinolin-3-yl]methyl]spiro[azetidine-3,3'-indole]-2'-one?
The IUPAC name of 1'-[[4-(6-fluoro-3-pyridinyl)isoquinolin-3-yl]methyl]spiro[azetidine-3,3'-indole]-2'-one (CID 126544836) is 1'-[[4-(6-fluoro-3-pyridinyl)isoquinolin-3-yl]methyl]spiro[azetidine-3,3'-indole]-2'-one.
What is the SMILES notation for 1'-[[4-(6-fluoro-3-pyridinyl)isoquinolin-3-yl]methyl]spiro[azetidine-3,3'-indole]-2'-one?
The canonical SMILES for 1'-[[4-(6-fluoro-3-pyridinyl)isoquinolin-3-yl]methyl]spiro[azetidine-3,3'-indole]-2'-one is O=C1N(Cc2ncc3ccccc3c2-c2ccc(F)nc2)c2ccccc2C12CNC2.
What is the InChIKey of 1'-[[4-(6-fluoro-3-pyridinyl)isoquinolin-3-yl]methyl]spiro[azetidine-3,3'-indole]-2'-one?
The InChIKey is IDNBOMBSKOXELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN4O/c26-22-10-9-17(12-29-22)23-18-6-2-1-5-16(18)11-28-20(23)13-30-21-8-4-3-7-19(21)25(24(30)31)14-27-15-25/h1-12,27H,13-15H2.
What are the key properties of 1'-[[4-(6-fluoro-3-pyridinyl)isoquinolin-3-yl]methyl]spiro[azetidine-3,3'-indole]-2'-one?
1'-[[4-(6-fluoro-3-pyridinyl)isoquinolin-3-yl]methyl]spiro[azetidine-3,3'-indole]-2'-one has a molecular weight of 410.45 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[[4-(6-fluoro-3-pyridinyl)isoquinolin-3-yl]methyl]spiro[azetidine-3,3'-indole]-2'-one is sourced from PubChem (CID 126544836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).