N-[6-(2-fluoro-3-methoxyphenyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide

C24H19FN4O3 — CID 162672531

IUPACN-[6-(2-fluoro-3-methoxyphenyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide
SMILESC=CC(=O)Nc1ccccc1C(=O)Nc1n[nH]c2cc(-c3cccc(OC)c3F)ccc12
InChIInChI=1S/C24H19FN4O3/c1-3-21(30)26-18-9-5-4-7-17(18)24(31)27-23-16-12-11-14(13-19(16)28-29-23)15-8-6-10-20(32-2)22(15)25/h3-13H,1H2,2H3,(H,26,30)(H2,27,28,29,31)
InChIKeyJZLBMZAOMBPYHG-UHFFFAOYSA-N
MW430.44 g/mol
LogP4.75
Rot. Bonds6

About N-[6-(2-fluoro-3-methoxyphenyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide

N-[6-(2-fluoro-3-methoxyphenyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide (PubChem CID 162672531) has the molecular formula C24H19FN4O3 and a molecular weight of 430.44 g/mol. Its IUPAC name is N-[6-(2-fluoro-3-methoxyphenyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide.

Molecular Properties

Compound NameN-[6-(2-fluoro-3-methoxyphenyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide
PubChem CID162672531
Molecular FormulaC24H19FN4O3
Molecular Weight430.44 g/mol
Exact Mass430.14
IUPAC NameN-[6-(2-fluoro-3-methoxyphenyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide
SMILESC=CC(=O)Nc1ccccc1C(=O)Nc1n[nH]c2cc(-c3cccc(OC)c3F)ccc12
InChIInChI=1S/C24H19FN4O3/c1-3-21(30)26-18-9-5-4-7-17(18)24(31)27-23-16-12-11-14(13-19(16)28-29-23)15-8-6-10-20(32-2)22(15)25/h3-13H,1H2,2H3,(H,26,30)(H2,27,28,29,31)
InChIKeyJZLBMZAOMBPYHG-UHFFFAOYSA-N
XLogP4.75
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 54.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-fluoro-3-methoxyphenyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide?
The IUPAC name of N-[6-(2-fluoro-3-methoxyphenyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide (CID 162672531) is N-[6-(2-fluoro-3-methoxyphenyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide.
What is the SMILES notation for N-[6-(2-fluoro-3-methoxyphenyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide?
The canonical SMILES for N-[6-(2-fluoro-3-methoxyphenyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide is C=CC(=O)Nc1ccccc1C(=O)Nc1n[nH]c2cc(-c3cccc(OC)c3F)ccc12.
What is the InChIKey of N-[6-(2-fluoro-3-methoxyphenyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide?
The InChIKey is JZLBMZAOMBPYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O3/c1-3-21(30)26-18-9-5-4-7-17(18)24(31)27-23-16-12-11-14(13-19(16)28-29-23)15-8-6-10-20(32-2)22(15)25/h3-13H,1H2,2H3,(H,26,30)(H2,27,28,29,31).
What are the key properties of N-[6-(2-fluoro-3-methoxyphenyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide?
N-[6-(2-fluoro-3-methoxyphenyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide has a molecular weight of 430.44 g/mol, XLogP of 4.75, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-fluoro-3-methoxyphenyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide is sourced from PubChem (CID 162672531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).