2-amino-N-[4-[(E)-2-[6-(4-hydroxy-3-methoxyphenyl)-1H-indazol-3-yl]ethenyl]phenyl]acetamide

C24H22N4O3 — CID 135839329

IUPAC2-amino-N-[4-[(E)-2-[6-(4-hydroxy-3-methoxyphenyl)-1H-indazol-3-yl]ethenyl]phenyl]acetamide
SMILESCOc1cc(-c2ccc3c(/C=C/c4ccc(NC(=O)CN)cc4)n[nH]c3c2)ccc1O
InChIInChI=1S/C24H22N4O3/c1-31-23-13-17(6-11-22(23)29)16-5-9-19-20(27-28-21(19)12-16)10-4-15-2-7-18(8-3-15)26-24(30)14-25/h2-13,29H,14,25H2,1H3,(H,26,30)(H,27,28)/b10-4+
InChIKeyIREATOXCIIIDEG-ONNFQVAWSA-N
MW414.47 g/mol
LogP4.01
Rot. Bonds6

About 2-amino-N-[4-[(E)-2-[6-(4-hydroxy-3-methoxyphenyl)-1H-indazol-3-yl]ethenyl]phenyl]acetamide

2-amino-N-[4-[(E)-2-[6-(4-hydroxy-3-methoxyphenyl)-1H-indazol-3-yl]ethenyl]phenyl]acetamide (PubChem CID 135839329) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is 2-amino-N-[4-[(E)-2-[6-(4-hydroxy-3-methoxyphenyl)-1H-indazol-3-yl]ethenyl]phenyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[4-[(E)-2-[6-(4-hydroxy-3-methoxyphenyl)-1H-indazol-3-yl]ethenyl]phenyl]acetamide
PubChem CID135839329
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC Name2-amino-N-[4-[(E)-2-[6-(4-hydroxy-3-methoxyphenyl)-1H-indazol-3-yl]ethenyl]phenyl]acetamide
SMILESCOc1cc(-c2ccc3c(/C=C/c4ccc(NC(=O)CN)cc4)n[nH]c3c2)ccc1O
InChIInChI=1S/C24H22N4O3/c1-31-23-13-17(6-11-22(23)29)16-5-9-19-20(27-28-21(19)12-16)10-4-15-2-7-18(8-3-15)26-24(30)14-25/h2-13,29H,14,25H2,1H3,(H,26,30)(H,27,28)/b10-4+
InChIKeyIREATOXCIIIDEG-ONNFQVAWSA-N
XLogP4.01
TPSA113.26 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 54.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[(E)-2-[6-(4-hydroxy-3-methoxyphenyl)-1H-indazol-3-yl]ethenyl]phenyl]acetamide?
The IUPAC name of 2-amino-N-[4-[(E)-2-[6-(4-hydroxy-3-methoxyphenyl)-1H-indazol-3-yl]ethenyl]phenyl]acetamide (CID 135839329) is 2-amino-N-[4-[(E)-2-[6-(4-hydroxy-3-methoxyphenyl)-1H-indazol-3-yl]ethenyl]phenyl]acetamide.
What is the SMILES notation for 2-amino-N-[4-[(E)-2-[6-(4-hydroxy-3-methoxyphenyl)-1H-indazol-3-yl]ethenyl]phenyl]acetamide?
The canonical SMILES for 2-amino-N-[4-[(E)-2-[6-(4-hydroxy-3-methoxyphenyl)-1H-indazol-3-yl]ethenyl]phenyl]acetamide is COc1cc(-c2ccc3c(/C=C/c4ccc(NC(=O)CN)cc4)n[nH]c3c2)ccc1O.
What is the InChIKey of 2-amino-N-[4-[(E)-2-[6-(4-hydroxy-3-methoxyphenyl)-1H-indazol-3-yl]ethenyl]phenyl]acetamide?
The InChIKey is IREATOXCIIIDEG-ONNFQVAWSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-31-23-13-17(6-11-22(23)29)16-5-9-19-20(27-28-21(19)12-16)10-4-15-2-7-18(8-3-15)26-24(30)14-25/h2-13,29H,14,25H2,1H3,(H,26,30)(H,27,28)/b10-4+.
What are the key properties of 2-amino-N-[4-[(E)-2-[6-(4-hydroxy-3-methoxyphenyl)-1H-indazol-3-yl]ethenyl]phenyl]acetamide?
2-amino-N-[4-[(E)-2-[6-(4-hydroxy-3-methoxyphenyl)-1H-indazol-3-yl]ethenyl]phenyl]acetamide has a molecular weight of 414.47 g/mol, XLogP of 4.01, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[(E)-2-[6-(4-hydroxy-3-methoxyphenyl)-1H-indazol-3-yl]ethenyl]phenyl]acetamide is sourced from PubChem (CID 135839329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).