3-benzyl-N-[(4-chlorophenyl)methyl]-6-hydroxy-N-methyl-1H-indazole-5-carboxamide

C23H20ClN3O2 — CID 137630322

IUPAC3-benzyl-N-[(4-chlorophenyl)methyl]-6-hydroxy-N-methyl-1H-indazole-5-carboxamide
SMILESCN(CC1=CC=C(C=C1)Cl)C(=O)C2=C(C=C3C(=C2)C(=NN3)CC4=CC=CC=C4)O
InChIInChI=1S/C23H20ClN3O2/c1-27(14-16-7-9-17(24)10-8-16)23(29)19-12-18-20(11-15-5-3-2-4-6-15)25-26-21(18)13-22(19)28/h2-10,12-13,28H,11,14H2,1H3,(H,25,26)
InChIKeyCPMQCYVAAOTGPW-UHFFFAOYSA-N
MW405.90 g/mol
LogP5.30
Rot. Bonds5

About 3-benzyl-N-[(4-chlorophenyl)methyl]-6-hydroxy-N-methyl-1H-indazole-5-carboxamide

3-benzyl-N-[(4-chlorophenyl)methyl]-6-hydroxy-N-methyl-1H-indazole-5-carboxamide (PubChem CID 137630322) has the molecular formula C23H20ClN3O2 and a molecular weight of 405.90 g/mol. Its IUPAC name is 3-benzyl-N-[(4-chlorophenyl)methyl]-6-hydroxy-N-methyl-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-benzyl-N-[(4-chlorophenyl)methyl]-6-hydroxy-N-methyl-1H-indazole-5-carboxamide
PubChem CID137630322
Molecular FormulaC23H20ClN3O2
Molecular Weight405.90 g/mol
Exact Mass405.12
IUPAC Name3-benzyl-N-[(4-chlorophenyl)methyl]-6-hydroxy-N-methyl-1H-indazole-5-carboxamide
SMILESCN(CC1=CC=C(C=C1)Cl)C(=O)C2=C(C=C3C(=C2)C(=NN3)CC4=CC=CC=C4)O
InChIInChI=1S/C23H20ClN3O2/c1-27(14-16-7-9-17(24)10-8-16)23(29)19-12-18-20(11-15-5-3-2-4-6-15)25-26-21(18)13-22(19)28/h2-10,12-13,28H,11,14H2,1H3,(H,25,26)
InChIKeyCPMQCYVAAOTGPW-UHFFFAOYSA-N
XLogP5.30
TPSA69.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity548

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.90
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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-morpholin-4-ylphenyl)-1H-indazole-5-carboxamide
CID 137631316
6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]-1H-indazole-5-carboxamide
CID 137631287
3-N-butyl-6-hydroxy-3-N,5-N-dimethyl-5-N-(4-morpholin-4-ylphenyl)-1H-indazole-3,5-dicarboxamide
CID 135567215
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-[(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
N-[(4-chloro-3-fluorophenyl)methyl]-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 137630307
3-benzyl-N-[(2-bromophenyl)methyl]-6-hydroxy-N-methyl-1H-indazole-5-carboxamide
CID 137630313

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-[(4-chlorophenyl)methyl]-6-hydroxy-N-methyl-1H-indazole-5-carboxamide?
The IUPAC name of 3-benzyl-N-[(4-chlorophenyl)methyl]-6-hydroxy-N-methyl-1H-indazole-5-carboxamide (CID 137630322) is 3-benzyl-N-[(4-chlorophenyl)methyl]-6-hydroxy-N-methyl-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-benzyl-N-[(4-chlorophenyl)methyl]-6-hydroxy-N-methyl-1H-indazole-5-carboxamide?
The canonical SMILES for 3-benzyl-N-[(4-chlorophenyl)methyl]-6-hydroxy-N-methyl-1H-indazole-5-carboxamide is CN(CC1=CC=C(C=C1)Cl)C(=O)C2=C(C=C3C(=C2)C(=NN3)CC4=CC=CC=C4)O.
What is the InChIKey of 3-benzyl-N-[(4-chlorophenyl)methyl]-6-hydroxy-N-methyl-1H-indazole-5-carboxamide?
The InChIKey is CPMQCYVAAOTGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O2/c1-27(14-16-7-9-17(24)10-8-16)23(29)19-12-18-20(11-15-5-3-2-4-6-15)25-26-21(18)13-22(19)28/h2-10,12-13,28H,11,14H2,1H3,(H,25,26).
What are the key properties of 3-benzyl-N-[(4-chlorophenyl)methyl]-6-hydroxy-N-methyl-1H-indazole-5-carboxamide?
3-benzyl-N-[(4-chlorophenyl)methyl]-6-hydroxy-N-methyl-1H-indazole-5-carboxamide has a molecular weight of 405.90 g/mol, XLogP of 5.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-[(4-chlorophenyl)methyl]-6-hydroxy-N-methyl-1H-indazole-5-carboxamide is sourced from PubChem (CID 137630322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).