N-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide

C26H24FN3O4 — CID 68934940

IUPACN-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc3[nH]nc(C=Cc4ccc(F)cc4)c3c2OC)c(OC)c1
InChIInChI=1S/C26H24FN3O4/c1-32-19-10-7-17(23(14-19)33-2)15-28-26(31)20-11-13-22-24(25(20)34-3)21(29-30-22)12-6-16-4-8-18(27)9-5-16/h4-14H,15H2,1-3H3,(H,28,31)(H,29,30)
InChIKeyRDCWURMSUSHDAQ-UHFFFAOYSA-N
MW461.49 g/mol
LogP4.83
Rot. Bonds8

About N-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide

N-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide (PubChem CID 68934940) has the molecular formula C26H24FN3O4 and a molecular weight of 461.49 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide
PubChem CID68934940
Molecular FormulaC26H24FN3O4
Molecular Weight461.49 g/mol
Exact Mass461.18
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc3[nH]nc(C=Cc4ccc(F)cc4)c3c2OC)c(OC)c1
InChIInChI=1S/C26H24FN3O4/c1-32-19-10-7-17(23(14-19)33-2)15-28-26(31)20-11-13-22-24(25(20)34-3)21(29-30-22)12-6-16-4-8-18(27)9-5-16/h4-14H,15H2,1-3H3,(H,28,31)(H,29,30)
InChIKeyRDCWURMSUSHDAQ-UHFFFAOYSA-N
XLogP4.83
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.49
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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
4-[3-[(2,6-dimethoxyphenyl)methylcarbamoyl]-4-fluorophenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 118888904
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
3-benzyl-N-[(4-ethylphenyl)methyl]-6-hydroxy-N-methyl-1H-indazole-5-carboxamide
CID 137630324
3-benzyl-N-[(4-ethoxyphenyl)methyl]-6-hydroxy-N-methyl-1H-indazole-5-carboxamide
CID 137630325
3-[(3-chlorophenyl)methyl]-6-hydroxy-N-[(4-methoxyphenyl)methyl]-N-methyl-1H-indazole-5-carboxamide
CID 137630331

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide (CID 68934940) is N-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide is COc1ccc(CNC(=O)c2ccc3[nH]nc(C=Cc4ccc(F)cc4)c3c2OC)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide?
The InChIKey is RDCWURMSUSHDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O4/c1-32-19-10-7-17(23(14-19)33-2)15-28-26(31)20-11-13-22-24(25(20)34-3)21(29-30-22)12-6-16-4-8-18(27)9-5-16/h4-14H,15H2,1-3H3,(H,28,31)(H,29,30).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide?
N-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide has a molecular weight of 461.49 g/mol, XLogP of 4.83, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide is sourced from PubChem (CID 68934940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).