3-(3,5-difluorophenyl)-12-(4-methoxyphenyl)-11-methyl-5,12-dihydroindolo[1,2-b][2,6]naphthyridine

C29H22F2N2O — CID 132557775

IUPAC3-(3,5-difluorophenyl)-12-(4-methoxyphenyl)-11-methyl-5,12-dihydroindolo[1,2-b][2,6]naphthyridine
SMILESCOc1ccc(C2c3cnc(-c4cc(F)cc(F)c4)cc3Cn3c2c(C)c2ccccc23)cc1
InChIInChI=1S/C29H22F2N2O/c1-17-24-5-3-4-6-27(24)33-16-20-13-26(19-11-21(30)14-22(31)12-19)32-15-25(20)28(29(17)33)18-7-9-23(34-2)10-8-18/h3-15,28H,16H2,1-2H3
InChIKeyXGFFYLRIFFETGW-UHFFFAOYSA-N
MW452.50 g/mol
LogP6.84
Rot. Bonds3

About 3-(3,5-difluorophenyl)-12-(4-methoxyphenyl)-11-methyl-5,12-dihydroindolo[1,2-b][2,6]naphthyridine

3-(3,5-difluorophenyl)-12-(4-methoxyphenyl)-11-methyl-5,12-dihydroindolo[1,2-b][2,6]naphthyridine (PubChem CID 132557775) has the molecular formula C29H22F2N2O and a molecular weight of 452.50 g/mol. Its IUPAC name is 3-(3,5-difluorophenyl)-12-(4-methoxyphenyl)-11-methyl-5,12-dihydroindolo[1,2-b][2,6]naphthyridine.

Molecular Properties

Compound Name3-(3,5-difluorophenyl)-12-(4-methoxyphenyl)-11-methyl-5,12-dihydroindolo[1,2-b][2,6]naphthyridine
PubChem CID132557775
Molecular FormulaC29H22F2N2O
Molecular Weight452.50 g/mol
Exact Mass452.17
IUPAC Name3-(3,5-difluorophenyl)-12-(4-methoxyphenyl)-11-methyl-5,12-dihydroindolo[1,2-b][2,6]naphthyridine
SMILESCOc1ccc(C2c3cnc(-c4cc(F)cc(F)c4)cc3Cn3c2c(C)c2ccccc23)cc1
InChIInChI=1S/C29H22F2N2O/c1-17-24-5-3-4-6-27(24)33-16-20-13-26(19-11-21(30)14-22(31)12-19)32-15-25(20)28(29(17)33)18-7-9-23(34-2)10-8-18/h3-15,28H,16H2,1-2H3
InChIKeyXGFFYLRIFFETGW-UHFFFAOYSA-N
XLogP6.84
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.50
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(3,5-difluorophenyl)-12-(4-methoxyphenyl)-11-methyl-5,12-dihydroindolo[1,2-b][2,6]naphthyridine 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

11-(4-methoxyphenyl)-12-methyl-6,11-dihydroindolo[1,2-b]isoquinoline
CID 135026219
trans-(1S,2R)-2-[6-(3-fluoro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine;hydrochloride
CID 162328920
[2-[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-3-methylindol-1-yl] thiohypoiodite
CID 137395258
1,3-difluoro-5-(4-methoxyphenyl)benzene
CID 11499528
3-(3,5-dimethoxyphenyl)-6-fluoroisoquinoline
CID 25058376
11-ethyl-2-methoxy-6H-isoindolo[2,1-a]indole
CID 68565618
2-(3-fluorophenoxy)-1-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 4520513
2-(2-acetyl-4-fluorophenoxy)-1-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 112774669
ethyl (4S)-4-(4-fluorophenyl)-2-(4-methoxyphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate
CID 135888615
4-[6-(3-fluoro-5-methoxyphenyl)-3-pyridinyl]-1-azabicyclo[2.2.1]heptane
CID 67494131
2-(3,4-difluorophenoxy)-1-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 18284938
4-[5-(3-fluorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 42628036

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenyl)-12-(4-methoxyphenyl)-11-methyl-5,12-dihydroindolo[1,2-b][2,6]naphthyridine?
The IUPAC name of 3-(3,5-difluorophenyl)-12-(4-methoxyphenyl)-11-methyl-5,12-dihydroindolo[1,2-b][2,6]naphthyridine (CID 132557775) is 3-(3,5-difluorophenyl)-12-(4-methoxyphenyl)-11-methyl-5,12-dihydroindolo[1,2-b][2,6]naphthyridine.
What is the SMILES notation for 3-(3,5-difluorophenyl)-12-(4-methoxyphenyl)-11-methyl-5,12-dihydroindolo[1,2-b][2,6]naphthyridine?
The canonical SMILES for 3-(3,5-difluorophenyl)-12-(4-methoxyphenyl)-11-methyl-5,12-dihydroindolo[1,2-b][2,6]naphthyridine is COc1ccc(C2c3cnc(-c4cc(F)cc(F)c4)cc3Cn3c2c(C)c2ccccc23)cc1.
What is the InChIKey of 3-(3,5-difluorophenyl)-12-(4-methoxyphenyl)-11-methyl-5,12-dihydroindolo[1,2-b][2,6]naphthyridine?
The InChIKey is XGFFYLRIFFETGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22F2N2O/c1-17-24-5-3-4-6-27(24)33-16-20-13-26(19-11-21(30)14-22(31)12-19)32-15-25(20)28(29(17)33)18-7-9-23(34-2)10-8-18/h3-15,28H,16H2,1-2H3.
What are the key properties of 3-(3,5-difluorophenyl)-12-(4-methoxyphenyl)-11-methyl-5,12-dihydroindolo[1,2-b][2,6]naphthyridine?
3-(3,5-difluorophenyl)-12-(4-methoxyphenyl)-11-methyl-5,12-dihydroindolo[1,2-b][2,6]naphthyridine has a molecular weight of 452.50 g/mol, XLogP of 6.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenyl)-12-(4-methoxyphenyl)-11-methyl-5,12-dihydroindolo[1,2-b][2,6]naphthyridine is sourced from PubChem (CID 132557775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).