N-[2-amino-1-(3-methoxyphenyl)ethyl]-5-(3-methyl-2H-indazol-5-yl)-2-(trifluoromethoxy)benzamide

C25H23F3N4O3 — CID 146209012

IUPACN-[2-amino-1-(3-methoxyphenyl)ethyl]-5-(3-methyl-2H-indazol-5-yl)-2-(trifluoromethoxy)benzamide
SMILESCOc1cccc(C(CN)NC(=O)c2cc(-c3ccc4n[nH]c(C)c4c3)ccc2OC(F)(F)F)c1
InChIInChI=1S/C25H23F3N4O3/c1-14-19-11-15(6-8-21(19)32-31-14)16-7-9-23(35-25(26,27)28)20(12-16)24(33)30-22(13-29)17-4-3-5-18(10-17)34-2/h3-12,22H,13,29H2,1-2H3,(H,30,33)(H,31,32)
InChIKeyBOAXHGZLIGFEMG-UHFFFAOYSA-N
MW484.48 g/mol
LogP4.88
Rot. Bonds7

About N-[2-amino-1-(3-methoxyphenyl)ethyl]-5-(3-methyl-2H-indazol-5-yl)-2-(trifluoromethoxy)benzamide

N-[2-amino-1-(3-methoxyphenyl)ethyl]-5-(3-methyl-2H-indazol-5-yl)-2-(trifluoromethoxy)benzamide (PubChem CID 146209012) has the molecular formula C25H23F3N4O3 and a molecular weight of 484.48 g/mol. Its IUPAC name is N-[2-amino-1-(3-methoxyphenyl)ethyl]-5-(3-methyl-2H-indazol-5-yl)-2-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[2-amino-1-(3-methoxyphenyl)ethyl]-5-(3-methyl-2H-indazol-5-yl)-2-(trifluoromethoxy)benzamide
PubChem CID146209012
Molecular FormulaC25H23F3N4O3
Molecular Weight484.48 g/mol
Exact Mass484.17
IUPAC NameN-[2-amino-1-(3-methoxyphenyl)ethyl]-5-(3-methyl-2H-indazol-5-yl)-2-(trifluoromethoxy)benzamide
SMILESCOc1cccc(C(CN)NC(=O)c2cc(-c3ccc4n[nH]c(C)c4c3)ccc2OC(F)(F)F)c1
InChIInChI=1S/C25H23F3N4O3/c1-14-19-11-15(6-8-21(19)32-31-14)16-7-9-23(35-25(26,27)28)20(12-16)24(33)30-22(13-29)17-4-3-5-18(10-17)34-2/h3-12,22H,13,29H2,1-2H3,(H,30,33)(H,31,32)
InChIKeyBOAXHGZLIGFEMG-UHFFFAOYSA-N
XLogP4.88
TPSA102.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.48
LogP ≤ 54.88
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-methyl-2H-indazol-5-yl)-2-(trifluoromethoxy)benzamide?
The IUPAC name of N-[2-amino-1-(3-methoxyphenyl)ethyl]-5-(3-methyl-2H-indazol-5-yl)-2-(trifluoromethoxy)benzamide (CID 146209012) is N-[2-amino-1-(3-methoxyphenyl)ethyl]-5-(3-methyl-2H-indazol-5-yl)-2-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[2-amino-1-(3-methoxyphenyl)ethyl]-5-(3-methyl-2H-indazol-5-yl)-2-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[2-amino-1-(3-methoxyphenyl)ethyl]-5-(3-methyl-2H-indazol-5-yl)-2-(trifluoromethoxy)benzamide is COc1cccc(C(CN)NC(=O)c2cc(-c3ccc4n[nH]c(C)c4c3)ccc2OC(F)(F)F)c1.
What is the InChIKey of N-[2-amino-1-(3-methoxyphenyl)ethyl]-5-(3-methyl-2H-indazol-5-yl)-2-(trifluoromethoxy)benzamide?
The InChIKey is BOAXHGZLIGFEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O3/c1-14-19-11-15(6-8-21(19)32-31-14)16-7-9-23(35-25(26,27)28)20(12-16)24(33)30-22(13-29)17-4-3-5-18(10-17)34-2/h3-12,22H,13,29H2,1-2H3,(H,30,33)(H,31,32).
What are the key properties of N-[2-amino-1-(3-methoxyphenyl)ethyl]-5-(3-methyl-2H-indazol-5-yl)-2-(trifluoromethoxy)benzamide?
N-[2-amino-1-(3-methoxyphenyl)ethyl]-5-(3-methyl-2H-indazol-5-yl)-2-(trifluoromethoxy)benzamide has a molecular weight of 484.48 g/mol, XLogP of 4.88, 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-methyl-2H-indazol-5-yl)-2-(trifluoromethoxy)benzamide is sourced from PubChem (CID 146209012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).