2-(2,5-dimethoxyphenyl)-N-[6-methyl-3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]acetamide

C26H25N3O3 — CID 46886392

IUPAC2-(2,5-dimethoxyphenyl)-N-[6-methyl-3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]acetamide
SMILESCOc1ccc(OC)c(CC(=O)Nc2cc3c(/C=C/c4ccccc4)n[nH]c3cc2C)c1
InChIInChI=1S/C26H25N3O3/c1-17-13-24-21(22(28-29-24)11-9-18-7-5-4-6-8-18)16-23(17)27-26(30)15-19-14-20(31-2)10-12-25(19)32-3/h4-14,16H,15H2,1-3H3,(H,27,30)(H,28,29)/b11-9+
InChIKeyKAHHZLXTLVPZAC-PKNBQFBNSA-N
MW427.50 g/mol
LogP5.24
Rot. Bonds7

About 2-(2,5-dimethoxyphenyl)-N-[6-methyl-3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]acetamide

2-(2,5-dimethoxyphenyl)-N-[6-methyl-3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]acetamide (PubChem CID 46886392) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-N-[6-methyl-3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-N-[6-methyl-3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]acetamide
PubChem CID46886392
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC Name2-(2,5-dimethoxyphenyl)-N-[6-methyl-3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]acetamide
SMILESCOc1ccc(OC)c(CC(=O)Nc2cc3c(/C=C/c4ccccc4)n[nH]c3cc2C)c1
InChIInChI=1S/C26H25N3O3/c1-17-13-24-21(22(28-29-24)11-9-18-7-5-4-6-8-18)16-23(17)27-26(30)15-19-14-20(31-2)10-12-25(19)32-3/h4-14,16H,15H2,1-3H3,(H,27,30)(H,28,29)/b11-9+
InChIKeyKAHHZLXTLVPZAC-PKNBQFBNSA-N
XLogP5.24
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.50
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1r,2s)-2-{3-[(E)-2-{4-[(Dimethylamino)methyl]phenyl}ethenyl]-2h-Indazol-6-Yl}-5'-Methoxyspiro[cyclopropane-1,3'-Indol]-2'(1'h)-One
CID 58486384
(2'S,3R)-5-methoxy-2'-[3-[(E)-2-[4-[[(2S,6R)-2,4,6-trimethylpiperazin-1-yl]methyl]phenyl]ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 56959991
(2'S,3R)-5-methoxy-2'-[3-[(E)-2-[4-(morpholin-4-ylmethyl)phenyl]ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 56962121
(1R,2S)-5'-methoxy-2-(3-(4-(4-methylpiperazin-1-yl)phenyl)-1H-indazol-6-yl)spiro [cyclopropane-1,3'-indolin]-2'-one
CID 58486186
(2'S,3R)-5-methoxy-2'-[3-[(E)-2-[4-(piperidin-1-ylmethyl)phenyl]ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 58486224
(2'S,3R)-5-methoxy-2'-[3-(4-piperazin-1-ylphenyl)-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 67448476
N-(1H-indazol-5-yl)-3-methoxybenzamide
CID 6465251
(2'S,3R)-2'-[3-[4-(4-fluoro-1-methylpiperidin-4-yl)phenyl]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 58486156
US9907800, Example A98
CID 58486223
(2'S,3R)-5-(difluoromethoxy)-2'-[3-[(E)-2-[4-[(dimethylamino)methyl]phenyl]ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 67955967
N-[3-(6-cyano-5-ethoxy-1H-indazol-3-yl)phenyl]acetamide
CID 71682143
N-[3-(5-ethoxy-1H-indazol-3-yl)phenyl]acetamide
CID 71681991

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-N-[6-methyl-3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]acetamide?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-N-[6-methyl-3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]acetamide (CID 46886392) is 2-(2,5-dimethoxyphenyl)-N-[6-methyl-3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]acetamide.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-N-[6-methyl-3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]acetamide?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-N-[6-methyl-3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]acetamide is COc1ccc(OC)c(CC(=O)Nc2cc3c(/C=C/c4ccccc4)n[nH]c3cc2C)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-N-[6-methyl-3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]acetamide?
The InChIKey is KAHHZLXTLVPZAC-PKNBQFBNSA-N. The full InChI is InChI=1S/C26H25N3O3/c1-17-13-24-21(22(28-29-24)11-9-18-7-5-4-6-8-18)16-23(17)27-26(30)15-19-14-20(31-2)10-12-25(19)32-3/h4-14,16H,15H2,1-3H3,(H,27,30)(H,28,29)/b11-9+.
What are the key properties of 2-(2,5-dimethoxyphenyl)-N-[6-methyl-3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]acetamide?
2-(2,5-dimethoxyphenyl)-N-[6-methyl-3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]acetamide has a molecular weight of 427.50 g/mol, XLogP of 5.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-N-[6-methyl-3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]acetamide is sourced from PubChem (CID 46886392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).