6-hydroxy-N-[(4-methoxyphenyl)methyl]-N-methyl-3-[(3-methylphenyl)methyl]-2H-indazole-5-carboxamide

C25H25N3O3 — CID 135582022

IUPAC6-hydroxy-N-[(4-methoxyphenyl)methyl]-N-methyl-3-[(3-methylphenyl)methyl]-2H-indazole-5-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2cc3c(Cc4cccc(C)c4)[nH]nc3cc2O)cc1
InChIInChI=1S/C25H25N3O3/c1-16-5-4-6-18(11-16)12-22-20-13-21(24(29)14-23(20)27-26-22)25(30)28(2)15-17-7-9-19(31-3)10-8-17/h4-11,13-14,29H,12,15H2,1-3H3,(H,26,27)
InChIKeyQXYUMAYBJRETAI-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.45
Rot. Bonds6

About 6-hydroxy-N-[(4-methoxyphenyl)methyl]-N-methyl-3-[(3-methylphenyl)methyl]-2H-indazole-5-carboxamide

6-hydroxy-N-[(4-methoxyphenyl)methyl]-N-methyl-3-[(3-methylphenyl)methyl]-2H-indazole-5-carboxamide (PubChem CID 135582022) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 6-hydroxy-N-[(4-methoxyphenyl)methyl]-N-methyl-3-[(3-methylphenyl)methyl]-2H-indazole-5-carboxamide.

Molecular Properties

Compound Name6-hydroxy-N-[(4-methoxyphenyl)methyl]-N-methyl-3-[(3-methylphenyl)methyl]-2H-indazole-5-carboxamide
PubChem CID135582022
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name6-hydroxy-N-[(4-methoxyphenyl)methyl]-N-methyl-3-[(3-methylphenyl)methyl]-2H-indazole-5-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2cc3c(Cc4cccc(C)c4)[nH]nc3cc2O)cc1
InChIInChI=1S/C25H25N3O3/c1-16-5-4-6-18(11-16)12-22-20-13-21(24(29)14-23(20)27-26-22)25(30)28(2)15-17-7-9-19(31-3)10-8-17/h4-11,13-14,29H,12,15H2,1-3H3,(H,26,27)
InChIKeyQXYUMAYBJRETAI-UHFFFAOYSA-N
XLogP4.45
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzyl-N-[(4-bromophenyl)methyl]-6-hydroxy-N-methyl-2H-indazole-5-carboxamide
CID 135581796
3-benzyl-N-[(2-chlorophenyl)methyl]-6-hydroxy-N-methyl-2H-indazole-5-carboxamide
CID 135693464
3-[(4-chlorophenyl)methyl]-6-hydroxy-N-methyl-N-propyl-2H-indazole-5-carboxamide
CID 135581916
2-amino-4-methoxy-N-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 115412767
7-methoxy-N,2-dimethyl-N-[(4-methylphenyl)methyl]quinoline-3-carboxamide
CID 18114437
2,5-dihydroxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 107722488
N-[(3-chlorophenyl)methyl]-2-hydroxy-4-methoxy-N-methylbenzamide
CID 31189281
N-[(6-methoxynaphthalen-2-yl)methyl]-N,3-dimethyl-2-nitrobenzamide
CID 18116967
N-[(4-methoxyphenyl)methyl]-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 103696208
N-[(4-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]propanamide
CID 46988817
N-[(4-methoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)propanamide
CID 21368307
2-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 60631214

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-N-[(4-methoxyphenyl)methyl]-N-methyl-3-[(3-methylphenyl)methyl]-2H-indazole-5-carboxamide?
The IUPAC name of 6-hydroxy-N-[(4-methoxyphenyl)methyl]-N-methyl-3-[(3-methylphenyl)methyl]-2H-indazole-5-carboxamide (CID 135582022) is 6-hydroxy-N-[(4-methoxyphenyl)methyl]-N-methyl-3-[(3-methylphenyl)methyl]-2H-indazole-5-carboxamide.
What is the SMILES notation for 6-hydroxy-N-[(4-methoxyphenyl)methyl]-N-methyl-3-[(3-methylphenyl)methyl]-2H-indazole-5-carboxamide?
The canonical SMILES for 6-hydroxy-N-[(4-methoxyphenyl)methyl]-N-methyl-3-[(3-methylphenyl)methyl]-2H-indazole-5-carboxamide is COc1ccc(CN(C)C(=O)c2cc3c(Cc4cccc(C)c4)[nH]nc3cc2O)cc1.
What is the InChIKey of 6-hydroxy-N-[(4-methoxyphenyl)methyl]-N-methyl-3-[(3-methylphenyl)methyl]-2H-indazole-5-carboxamide?
The InChIKey is QXYUMAYBJRETAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-16-5-4-6-18(11-16)12-22-20-13-21(24(29)14-23(20)27-26-22)25(30)28(2)15-17-7-9-19(31-3)10-8-17/h4-11,13-14,29H,12,15H2,1-3H3,(H,26,27).
What are the key properties of 6-hydroxy-N-[(4-methoxyphenyl)methyl]-N-methyl-3-[(3-methylphenyl)methyl]-2H-indazole-5-carboxamide?
6-hydroxy-N-[(4-methoxyphenyl)methyl]-N-methyl-3-[(3-methylphenyl)methyl]-2H-indazole-5-carboxamide has a molecular weight of 415.49 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-N-[(4-methoxyphenyl)methyl]-N-methyl-3-[(3-methylphenyl)methyl]-2H-indazole-5-carboxamide is sourced from PubChem (CID 135582022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).