N-[(2-fluoro-4-methoxyphenyl)methyl]-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-amine

C23H26FN3O — CID 45176650

IUPACN-[(2-fluoro-4-methoxyphenyl)methyl]-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-amine
SMILESCOc1ccc(CNC2CC(C)(C)Cc3c2cnn3-c2ccccc2)c(F)c1
InChIInChI=1S/C23H26FN3O/c1-23(2)12-21(25-14-16-9-10-18(28-3)11-20(16)24)19-15-26-27(22(19)13-23)17-7-5-4-6-8-17/h4-11,15,21,25H,12-14H2,1-3H3
InChIKeyGXVNYRREVXGAIT-UHFFFAOYSA-N
MW379.48 g/mol
LogP4.82
Rot. Bonds5

About N-[(2-fluoro-4-methoxyphenyl)methyl]-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-amine

N-[(2-fluoro-4-methoxyphenyl)methyl]-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-amine (PubChem CID 45176650) has the molecular formula C23H26FN3O and a molecular weight of 379.48 g/mol. Its IUPAC name is N-[(2-fluoro-4-methoxyphenyl)methyl]-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-amine.

Molecular Properties

Compound NameN-[(2-fluoro-4-methoxyphenyl)methyl]-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-amine
PubChem CID45176650
Molecular FormulaC23H26FN3O
Molecular Weight379.48 g/mol
Exact Mass379.21
IUPAC NameN-[(2-fluoro-4-methoxyphenyl)methyl]-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-amine
SMILESCOc1ccc(CNC2CC(C)(C)Cc3c2cnn3-c2ccccc2)c(F)c1
InChIInChI=1S/C23H26FN3O/c1-23(2)12-21(25-14-16-9-10-18(28-3)11-20(16)24)19-15-26-27(22(19)13-23)17-7-5-4-6-8-17/h4-11,15,21,25H,12-14H2,1-3H3
InChIKeyGXVNYRREVXGAIT-UHFFFAOYSA-N
XLogP4.82
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-fluoro-4-methoxyphenyl)methyl]-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-amine 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

(4R)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-amine
CID 42514602
6,6-dimethyl-1-(4-methylphenyl)-N-[(4-pyrimidin-2-yloxyphenyl)methyl]-5,7-dihydro-4H-indazol-4-amine
CID 45170289
(4R)-1-(3-fluorophenyl)-6,6-dimethyl-N-(pyridin-3-ylmethyl)-5,7-dihydro-4H-indazol-4-amine
CID 42198957
N-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-3,4,5-trimethoxybenzamide
CID 42591856
N-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-3-(2-methoxyphenyl)propanamide
CID 25374120
[(4R)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]azanium
CID 7200946
N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)prop-2-enamide
CID 102454416
N-[(4R)-1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(3-methoxyphenyl)acetamide
CID 95855701
4-[[ethyl(methyl)sulfamoyl]amino]-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazole
CID 72908652
2-chloro-4-[[[(4S)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]amino]methyl]-6-methoxyphenol
CID 25478017
3-[[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]amino]-2,2-dimethylpropan-1-ol
CID 45239308
2-indazol-2-yl-N-[(4R)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]acetamide
CID 25461195

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-4-methoxyphenyl)methyl]-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-amine?
The IUPAC name of N-[(2-fluoro-4-methoxyphenyl)methyl]-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-amine (CID 45176650) is N-[(2-fluoro-4-methoxyphenyl)methyl]-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-amine.
What is the SMILES notation for N-[(2-fluoro-4-methoxyphenyl)methyl]-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-amine?
The canonical SMILES for N-[(2-fluoro-4-methoxyphenyl)methyl]-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-amine is COc1ccc(CNC2CC(C)(C)Cc3c2cnn3-c2ccccc2)c(F)c1.
What is the InChIKey of N-[(2-fluoro-4-methoxyphenyl)methyl]-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-amine?
The InChIKey is GXVNYRREVXGAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O/c1-23(2)12-21(25-14-16-9-10-18(28-3)11-20(16)24)19-15-26-27(22(19)13-23)17-7-5-4-6-8-17/h4-11,15,21,25H,12-14H2,1-3H3.
What are the key properties of N-[(2-fluoro-4-methoxyphenyl)methyl]-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-amine?
N-[(2-fluoro-4-methoxyphenyl)methyl]-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-amine has a molecular weight of 379.48 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-4-methoxyphenyl)methyl]-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-amine is sourced from PubChem (CID 45176650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).