N-[(3,4-dimethoxyphenyl)methyl]-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide

C26H27N3O4 — CID 137630316

IUPACN-[(3,4-dimethoxyphenyl)methyl]-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
SMILESCC1=CC(=CC=C1)CC2=NNC3=CC(=C(C=C32)C(=O)N(C)CC4=CC(=C(C=C4)OC)OC)O
InChIInChI=1S/C26H27N3O4/c1-16-6-5-7-17(10-16)11-21-19-13-20(23(30)14-22(19)28-27-21)26(31)29(2)15-18-8-9-24(32-3)25(12-18)33-4/h5-10,12-14,30H,11,15H2,1-4H3,(H,27,28)
InChIKeyWNCCXPHAUXYECH-UHFFFAOYSA-N
MW445.50 g/mol
LogP5.00
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide (PubChem CID 137630316) has the molecular formula C26H27N3O4 and a molecular weight of 445.50 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
PubChem CID137630316
Molecular FormulaC26H27N3O4
Molecular Weight445.50 g/mol
Exact Mass445.20
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
SMILESCC1=CC(=CC=C1)CC2=NNC3=CC(=C(C=C32)C(=O)N(C)CC4=CC(=C(C=C4)OC)OC)O
InChIInChI=1S/C26H27N3O4/c1-16-6-5-7-17(10-16)11-21-19-13-20(23(30)14-22(19)28-27-21)26(31)29(2)15-18-8-9-24(32-3)25(12-18)33-4/h5-10,12-14,30H,11,15H2,1-4H3,(H,27,28)
InChIKeyWNCCXPHAUXYECH-UHFFFAOYSA-N
XLogP5.00
TPSA87.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity649

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3,4-dimethoxyphenyl)methyl]-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide 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-benzyl-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 137349251
6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]-1H-indazole-5-carboxamide
CID 137631287
3-(3,3-dimethylbutyl)-6-hydroxy-N-methyl-N-[4-(1-methylpiperidin-4-yl)phenyl]-2H-indazole-5-carboxamide
CID 135567216
N-Benzyl-6-Hydroxy-N-Methyl-3-(3-Methylbenzyl)-1h-Indazole-5-Carboxamide
CID 135566719
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(3-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)-1,2-dihydropyrazole-3-carboxamide
CID 1872467
N-[(4-fluorophenyl)methyl]-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 137630303
6-hydroxy-N-[(4-methoxyphenyl)methyl]-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 137630304
N-[(2-bromophenyl)methyl]-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 137630305
N-[(3-fluorophenyl)methyl]-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 137630306
3-benzyl-N-[(2-bromophenyl)methyl]-6-hydroxy-N-methyl-1H-indazole-5-carboxamide
CID 137630313
N-[(3,4-difluorophenyl)methyl]-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 137630318
6-hydroxy-N-[[3-(methanesulfonamido)phenyl]methyl]-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 137630319

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide (CID 137630316) is N-[(3,4-dimethoxyphenyl)methyl]-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide is CC1=CC(=CC=C1)CC2=NNC3=CC(=C(C=C32)C(=O)N(C)CC4=CC(=C(C=C4)OC)OC)O.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide?
The InChIKey is WNCCXPHAUXYECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4/c1-16-6-5-7-17(10-16)11-21-19-13-20(23(30)14-22(19)28-27-21)26(31)29(2)15-18-8-9-24(32-3)25(12-18)33-4/h5-10,12-14,30H,11,15H2,1-4H3,(H,27,28).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide has a molecular weight of 445.50 g/mol, XLogP of 5.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 137630316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).