3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(2,4,6-trimethoxyphenyl)methyl]-1H-indazole-5-carboxamide

C27H26FN3O5 — CID 68928462

IUPAC3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(2,4,6-trimethoxyphenyl)methyl]-1H-indazole-5-carboxamide
SMILESCOc1cc(OC)c(CNC(=O)c2ccc3[nH]nc(C=Cc4ccc(F)cc4)c3c2OC)c(OC)c1
InChIInChI=1S/C27H26FN3O5/c1-33-18-13-23(34-2)20(24(14-18)35-3)15-29-27(32)19-10-12-22-25(26(19)36-4)21(30-31-22)11-7-16-5-8-17(28)9-6-16/h5-14H,15H2,1-4H3,(H,29,32)(H,30,31)
InChIKeyLVYVVVNRYIPHES-UHFFFAOYSA-N
MW491.52 g/mol
LogP4.84
Rot. Bonds9

About 3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(2,4,6-trimethoxyphenyl)methyl]-1H-indazole-5-carboxamide

3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(2,4,6-trimethoxyphenyl)methyl]-1H-indazole-5-carboxamide (PubChem CID 68928462) has the molecular formula C27H26FN3O5 and a molecular weight of 491.52 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(2,4,6-trimethoxyphenyl)methyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(2,4,6-trimethoxyphenyl)methyl]-1H-indazole-5-carboxamide
PubChem CID68928462
Molecular FormulaC27H26FN3O5
Molecular Weight491.52 g/mol
Exact Mass491.19
IUPAC Name3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(2,4,6-trimethoxyphenyl)methyl]-1H-indazole-5-carboxamide
SMILESCOc1cc(OC)c(CNC(=O)c2ccc3[nH]nc(C=Cc4ccc(F)cc4)c3c2OC)c(OC)c1
InChIInChI=1S/C27H26FN3O5/c1-33-18-13-23(34-2)20(24(14-18)35-3)15-29-27(32)19-10-12-22-25(26(19)36-4)21(30-31-22)11-7-16-5-8-17(28)9-6-16/h5-14H,15H2,1-4H3,(H,29,32)(H,30,31)
InChIKeyLVYVVVNRYIPHES-UHFFFAOYSA-N
XLogP4.84
TPSA94.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.52
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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 3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(2,4,6-trimethoxyphenyl)methyl]-1H-indazole-5-carboxamide?
The IUPAC name of 3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(2,4,6-trimethoxyphenyl)methyl]-1H-indazole-5-carboxamide (CID 68928462) is 3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(2,4,6-trimethoxyphenyl)methyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(2,4,6-trimethoxyphenyl)methyl]-1H-indazole-5-carboxamide?
The canonical SMILES for 3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(2,4,6-trimethoxyphenyl)methyl]-1H-indazole-5-carboxamide is COc1cc(OC)c(CNC(=O)c2ccc3[nH]nc(C=Cc4ccc(F)cc4)c3c2OC)c(OC)c1.
What is the InChIKey of 3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(2,4,6-trimethoxyphenyl)methyl]-1H-indazole-5-carboxamide?
The InChIKey is LVYVVVNRYIPHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3O5/c1-33-18-13-23(34-2)20(24(14-18)35-3)15-29-27(32)19-10-12-22-25(26(19)36-4)21(30-31-22)11-7-16-5-8-17(28)9-6-16/h5-14H,15H2,1-4H3,(H,29,32)(H,30,31).
What are the key properties of 3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(2,4,6-trimethoxyphenyl)methyl]-1H-indazole-5-carboxamide?
3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(2,4,6-trimethoxyphenyl)methyl]-1H-indazole-5-carboxamide has a molecular weight of 491.52 g/mol, XLogP of 4.84, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(2,4,6-trimethoxyphenyl)methyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 68928462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).