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

C26H24FN3O4 — CID 68934198

IUPACN-[(3,5-dimethoxyphenyl)methyl]-3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide
SMILESCOc1cc(CNC(=O)c2ccc3[nH]nc(C=Cc4ccc(F)cc4)c3c2OC)cc(OC)c1
InChIInChI=1S/C26H24FN3O4/c1-32-19-12-17(13-20(14-19)33-2)15-28-26(31)21-9-11-23-24(25(21)34-3)22(29-30-23)10-6-16-4-7-18(27)8-5-16/h4-14H,15H2,1-3H3,(H,28,31)(H,29,30)
InChIKeyKONVFZQFLRCFML-UHFFFAOYSA-N
MW461.49 g/mol
LogP4.83
Rot. Bonds8

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

N-[(3,5-dimethoxyphenyl)methyl]-3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide (PubChem CID 68934198) has the molecular formula C26H24FN3O4 and a molecular weight of 461.49 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)methyl]-3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)methyl]-3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide
PubChem CID68934198
Molecular FormulaC26H24FN3O4
Molecular Weight461.49 g/mol
Exact Mass461.18
IUPAC NameN-[(3,5-dimethoxyphenyl)methyl]-3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide
SMILESCOc1cc(CNC(=O)c2ccc3[nH]nc(C=Cc4ccc(F)cc4)c3c2OC)cc(OC)c1
InChIInChI=1S/C26H24FN3O4/c1-32-19-12-17(13-20(14-19)33-2)15-28-26(31)21-9-11-23-24(25(21)34-3)22(29-30-23)10-6-16-4-7-18(27)8-5-16/h4-14H,15H2,1-3H3,(H,28,31)(H,29,30)
InChIKeyKONVFZQFLRCFML-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-[(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-N-[(4-ethoxyphenyl)methyl]-6-hydroxy-N-methyl-1H-indazole-5-carboxamide
CID 137630325
3-benzyl-N-[(2,3-dimethoxyphenyl)methyl]-6-hydroxy-N-methyl-1H-indazole-5-carboxamide
CID 137630341
3-benzyl-6-hydroxy-N-[(3-methoxyphenyl)methyl]-N-methyl-1H-indazole-5-carboxamide
CID 137630344
3-benzyl-N-[(3-fluorophenyl)methyl]-6-hydroxy-N-methyl-1H-indazole-5-carboxamide
CID 137630348
3-benzyl-N-[(2-fluorophenyl)methyl]-6-hydroxy-N-methyl-1H-indazole-5-carboxamide
CID 137630356
6-hydroxy-N-(3-methoxyphenyl)-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 145966299
6-hydroxy-N-(4-methoxyphenyl)-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 145967307

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide?
The IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide (CID 68934198) is N-[(3,5-dimethoxyphenyl)methyl]-3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)methyl]-3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)methyl]-3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide is COc1cc(CNC(=O)c2ccc3[nH]nc(C=Cc4ccc(F)cc4)c3c2OC)cc(OC)c1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)methyl]-3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide?
The InChIKey is KONVFZQFLRCFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O4/c1-32-19-12-17(13-20(14-19)33-2)15-28-26(31)21-9-11-23-24(25(21)34-3)22(29-30-23)10-6-16-4-7-18(27)8-5-16/h4-14H,15H2,1-3H3,(H,28,31)(H,29,30).
What are the key properties of N-[(3,5-dimethoxyphenyl)methyl]-3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide?
N-[(3,5-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-[(3,5-dimethoxyphenyl)methyl]-3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide is sourced from PubChem (CID 68934198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).