2-chloro-4-[[[(4S)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]amino]methyl]-6-methoxyphenol

C24H28ClN3O2 — CID 25478017

IUPAC2-chloro-4-[[[(4S)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]amino]methyl]-6-methoxyphenol
SMILESCOc1cc(CN[C@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2C)cc(Cl)c1O
InChIInChI=1S/C24H28ClN3O2/c1-15-7-5-6-8-20(15)28-21-12-24(2,3)11-19(17(21)14-27-28)26-13-16-9-18(25)23(29)22(10-16)30-4/h5-10,14,19,26,29H,11-13H2,1-4H3/t19-/m0/s1
InChIKeyVXRNKNAHEQFIOZ-IBGZPJMESA-N
MW425.96 g/mol
LogP5.35
Rot. Bonds5

About 2-chloro-4-[[[(4S)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]amino]methyl]-6-methoxyphenol

2-chloro-4-[[[(4S)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]amino]methyl]-6-methoxyphenol (PubChem CID 25478017) has the molecular formula C24H28ClN3O2 and a molecular weight of 425.96 g/mol. Its IUPAC name is 2-chloro-4-[[[(4S)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]amino]methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-chloro-4-[[[(4S)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]amino]methyl]-6-methoxyphenol
PubChem CID25478017
Molecular FormulaC24H28ClN3O2
Molecular Weight425.96 g/mol
Exact Mass425.19
IUPAC Name2-chloro-4-[[[(4S)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]amino]methyl]-6-methoxyphenol
SMILESCOc1cc(CN[C@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2C)cc(Cl)c1O
InChIInChI=1S/C24H28ClN3O2/c1-15-7-5-6-8-20(15)28-21-12-24(2,3)11-19(17(21)14-27-28)26-13-16-9-18(25)23(29)22(10-16)30-4/h5-10,14,19,26,29H,11-13H2,1-4H3/t19-/m0/s1
InChIKeyVXRNKNAHEQFIOZ-IBGZPJMESA-N
XLogP5.35
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.96
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-chloro-4-[[[(4S)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]amino]methyl]-6-methoxyphenol 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

N-(furan-3-ylmethyl)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-amine
CID 45208161
N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2,3,4-trimethoxybenzamide
CID 24817088
4-[[[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]-2,6-dimethoxyphenol
CID 45180985
N-[(4R)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2,2-dimethylpropanamide
CID 26327369
(4S)-6,6-dimethyl-1-(2-methylphenyl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]-5,7-dihydro-4H-indazol-4-amine
CID 26332183
N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-5-methyl-1H-pyrazole-4-carboxamide
CID 24791220
N'-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-N-propyloxamide
CID 72853657
N-[(4S)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]morpholine-4-sulfonamide
CID 97156493
N-[(4R)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 25370066
N-[(2-fluoro-4-methoxyphenyl)methyl]-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-amine
CID 45176650
4-[[[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]amino]methyl]phenol
CID 45195645
N-[(4R)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-carboxamide
CID 42457754

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[[(4S)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]amino]methyl]-6-methoxyphenol?
The IUPAC name of 2-chloro-4-[[[(4S)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]amino]methyl]-6-methoxyphenol (CID 25478017) is 2-chloro-4-[[[(4S)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]amino]methyl]-6-methoxyphenol.
What is the SMILES notation for 2-chloro-4-[[[(4S)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]amino]methyl]-6-methoxyphenol?
The canonical SMILES for 2-chloro-4-[[[(4S)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]amino]methyl]-6-methoxyphenol is COc1cc(CN[C@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2C)cc(Cl)c1O.
What is the InChIKey of 2-chloro-4-[[[(4S)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]amino]methyl]-6-methoxyphenol?
The InChIKey is VXRNKNAHEQFIOZ-IBGZPJMESA-N. The full InChI is InChI=1S/C24H28ClN3O2/c1-15-7-5-6-8-20(15)28-21-12-24(2,3)11-19(17(21)14-27-28)26-13-16-9-18(25)23(29)22(10-16)30-4/h5-10,14,19,26,29H,11-13H2,1-4H3/t19-/m0/s1.
What are the key properties of 2-chloro-4-[[[(4S)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]amino]methyl]-6-methoxyphenol?
2-chloro-4-[[[(4S)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]amino]methyl]-6-methoxyphenol has a molecular weight of 425.96 g/mol, XLogP of 5.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[[(4S)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]amino]methyl]-6-methoxyphenol is sourced from PubChem (CID 25478017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).