3-(3-fluorophenyl)-4-methoxy-N-[(3-methoxyphenyl)methyl]-1H-indazole-5-carboxamide

C23H20FN3O3 — CID 23589679

IUPAC3-(3-fluorophenyl)-4-methoxy-N-[(3-methoxyphenyl)methyl]-1H-indazole-5-carboxamide
SMILESCOc1cccc(CNC(=O)c2ccc3[nH]nc(-c4cccc(F)c4)c3c2OC)c1
InChIInChI=1S/C23H20FN3O3/c1-29-17-8-3-5-14(11-17)13-25-23(28)18-9-10-19-20(22(18)30-2)21(27-26-19)15-6-4-7-16(24)12-15/h3-12H,13H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyWKRLFBYPHFZVQT-UHFFFAOYSA-N
MW405.43 g/mol
LogP4.32
Rot. Bonds6

About 3-(3-fluorophenyl)-4-methoxy-N-[(3-methoxyphenyl)methyl]-1H-indazole-5-carboxamide

3-(3-fluorophenyl)-4-methoxy-N-[(3-methoxyphenyl)methyl]-1H-indazole-5-carboxamide (PubChem CID 23589679) has the molecular formula C23H20FN3O3 and a molecular weight of 405.43 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-4-methoxy-N-[(3-methoxyphenyl)methyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-4-methoxy-N-[(3-methoxyphenyl)methyl]-1H-indazole-5-carboxamide
PubChem CID23589679
Molecular FormulaC23H20FN3O3
Molecular Weight405.43 g/mol
Exact Mass405.15
IUPAC Name3-(3-fluorophenyl)-4-methoxy-N-[(3-methoxyphenyl)methyl]-1H-indazole-5-carboxamide
SMILESCOc1cccc(CNC(=O)c2ccc3[nH]nc(-c4cccc(F)c4)c3c2OC)c1
InChIInChI=1S/C23H20FN3O3/c1-29-17-8-3-5-14(11-17)13-25-23(28)18-9-10-19-20(22(18)30-2)21(27-26-19)15-6-4-7-16(24)12-15/h3-12H,13H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyWKRLFBYPHFZVQT-UHFFFAOYSA-N
XLogP4.32
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 137349251
N-Benzyl-6-Hydroxy-N-Methyl-3-(3-Methylbenzyl)-1h-Indazole-5-Carboxamide
CID 135566719
N-{[cis-4-(2-Phenoxyethyl)cyclohexyl]methyl}-1H-indazole-5-carboxamide
CID 44442113
N-(cyclopropyl(phenyl)methyl)-3-(4-((1-formylpiperidin-4-yl)oxy)phenyl)-1H-indazole-5-carboxamide
CID 86711021
N-(cyclopropyl(phenyl)methyl)-3-(4-((1-methylpiperidin-4-yl)oxy)phenyl)-1H-indazole-5-carboxamide
CID 89509708
3-methoxy-N-methyl-4-(6-(trifluoromethyl)-1H-indazol-4-yl)benzamide
CID 89783377
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-[(3-fluorophenyl)methyl]-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 137630306
N-[(3,4-dimethoxyphenyl)methyl]-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 137630316
N-[(3,4-difluorophenyl)methyl]-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 137630318
3-benzyl-6-hydroxy-N-methyl-N-[(4-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 137630323

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-4-methoxy-N-[(3-methoxyphenyl)methyl]-1H-indazole-5-carboxamide?
The IUPAC name of 3-(3-fluorophenyl)-4-methoxy-N-[(3-methoxyphenyl)methyl]-1H-indazole-5-carboxamide (CID 23589679) is 3-(3-fluorophenyl)-4-methoxy-N-[(3-methoxyphenyl)methyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-(3-fluorophenyl)-4-methoxy-N-[(3-methoxyphenyl)methyl]-1H-indazole-5-carboxamide?
The canonical SMILES for 3-(3-fluorophenyl)-4-methoxy-N-[(3-methoxyphenyl)methyl]-1H-indazole-5-carboxamide is COc1cccc(CNC(=O)c2ccc3[nH]nc(-c4cccc(F)c4)c3c2OC)c1.
What is the InChIKey of 3-(3-fluorophenyl)-4-methoxy-N-[(3-methoxyphenyl)methyl]-1H-indazole-5-carboxamide?
The InChIKey is WKRLFBYPHFZVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O3/c1-29-17-8-3-5-14(11-17)13-25-23(28)18-9-10-19-20(22(18)30-2)21(27-26-19)15-6-4-7-16(24)12-15/h3-12H,13H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of 3-(3-fluorophenyl)-4-methoxy-N-[(3-methoxyphenyl)methyl]-1H-indazole-5-carboxamide?
3-(3-fluorophenyl)-4-methoxy-N-[(3-methoxyphenyl)methyl]-1H-indazole-5-carboxamide has a molecular weight of 405.43 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-4-methoxy-N-[(3-methoxyphenyl)methyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 23589679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).