N-[2-amino-1-(3-methoxyphenyl)ethyl]-5-(3-fluoro-2H-indazol-5-yl)-2-methoxybenzamide

C24H23FN4O3 — CID 146208896

IUPACN-[2-amino-1-(3-methoxyphenyl)ethyl]-5-(3-fluoro-2H-indazol-5-yl)-2-methoxybenzamide
SMILESCOc1cccc(C(CN)NC(=O)c2cc(-c3ccc4n[nH]c(F)c4c3)ccc2OC)c1
InChIInChI=1S/C24H23FN4O3/c1-31-17-5-3-4-16(10-17)21(13-26)27-24(30)19-12-15(7-9-22(19)32-2)14-6-8-20-18(11-14)23(25)29-28-20/h3-12,21H,13,26H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyZEBTVUQBWJLGIO-UHFFFAOYSA-N
MW434.47 g/mol
LogP3.82
Rot. Bonds7

About N-[2-amino-1-(3-methoxyphenyl)ethyl]-5-(3-fluoro-2H-indazol-5-yl)-2-methoxybenzamide

N-[2-amino-1-(3-methoxyphenyl)ethyl]-5-(3-fluoro-2H-indazol-5-yl)-2-methoxybenzamide (PubChem CID 146208896) has the molecular formula C24H23FN4O3 and a molecular weight of 434.47 g/mol. Its IUPAC name is N-[2-amino-1-(3-methoxyphenyl)ethyl]-5-(3-fluoro-2H-indazol-5-yl)-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-amino-1-(3-methoxyphenyl)ethyl]-5-(3-fluoro-2H-indazol-5-yl)-2-methoxybenzamide
PubChem CID146208896
Molecular FormulaC24H23FN4O3
Molecular Weight434.47 g/mol
Exact Mass434.18
IUPAC NameN-[2-amino-1-(3-methoxyphenyl)ethyl]-5-(3-fluoro-2H-indazol-5-yl)-2-methoxybenzamide
SMILESCOc1cccc(C(CN)NC(=O)c2cc(-c3ccc4n[nH]c(F)c4c3)ccc2OC)c1
InChIInChI=1S/C24H23FN4O3/c1-31-17-5-3-4-16(10-17)21(13-26)27-24(30)19-12-15(7-9-22(19)32-2)14-6-8-20-18(11-14)23(25)29-28-20/h3-12,21H,13,26H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyZEBTVUQBWJLGIO-UHFFFAOYSA-N
XLogP3.82
TPSA102.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-1-(3-methoxyphenyl)ethyl]-5-(3-fluoro-2H-indazol-5-yl)-2-methoxybenzamide?
The IUPAC name of N-[2-amino-1-(3-methoxyphenyl)ethyl]-5-(3-fluoro-2H-indazol-5-yl)-2-methoxybenzamide (CID 146208896) is N-[2-amino-1-(3-methoxyphenyl)ethyl]-5-(3-fluoro-2H-indazol-5-yl)-2-methoxybenzamide.
What is the SMILES notation for N-[2-amino-1-(3-methoxyphenyl)ethyl]-5-(3-fluoro-2H-indazol-5-yl)-2-methoxybenzamide?
The canonical SMILES for N-[2-amino-1-(3-methoxyphenyl)ethyl]-5-(3-fluoro-2H-indazol-5-yl)-2-methoxybenzamide is COc1cccc(C(CN)NC(=O)c2cc(-c3ccc4n[nH]c(F)c4c3)ccc2OC)c1.
What is the InChIKey of N-[2-amino-1-(3-methoxyphenyl)ethyl]-5-(3-fluoro-2H-indazol-5-yl)-2-methoxybenzamide?
The InChIKey is ZEBTVUQBWJLGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O3/c1-31-17-5-3-4-16(10-17)21(13-26)27-24(30)19-12-15(7-9-22(19)32-2)14-6-8-20-18(11-14)23(25)29-28-20/h3-12,21H,13,26H2,1-2H3,(H,27,30)(H,28,29).
What are the key properties of N-[2-amino-1-(3-methoxyphenyl)ethyl]-5-(3-fluoro-2H-indazol-5-yl)-2-methoxybenzamide?
N-[2-amino-1-(3-methoxyphenyl)ethyl]-5-(3-fluoro-2H-indazol-5-yl)-2-methoxybenzamide has a molecular weight of 434.47 g/mol, XLogP of 3.82, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-1-(3-methoxyphenyl)ethyl]-5-(3-fluoro-2H-indazol-5-yl)-2-methoxybenzamide is sourced from PubChem (CID 146208896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).