3-amino-4-(2-chloro-5-fluorophenoxy)-N-ethyl-5-[3-fluoro-5-(trifluoromethyl)anilino]-1-methylindazole-7-carboxamide

C24H19ClF5N5O2 — CID 170435461

IUPAC3-amino-4-(2-chloro-5-fluorophenoxy)-N-ethyl-5-[3-fluoro-5-(trifluoromethyl)anilino]-1-methylindazole-7-carboxamide
SMILESCCNC(=O)c1cc(Nc2cc(F)cc(C(F)(F)F)c2)c(Oc2cc(F)ccc2Cl)c2c(N)nn(C)c12
InChIInChI=1S/C24H19ClF5N5O2/c1-3-32-23(36)15-10-17(33-14-7-11(24(28,29)30)6-13(27)8-14)21(19-20(15)35(2)34-22(19)31)37-18-9-12(26)4-5-16(18)25/h4-10,33H,3H2,1-2H3,(H2,31,34)(H,32,36)
InChIKeyHYDYZYYZRKJSNA-UHFFFAOYSA-N
MW539.89 g/mol
LogP6.39
Rot. Bonds6

About 3-amino-4-(2-chloro-5-fluorophenoxy)-N-ethyl-5-[3-fluoro-5-(trifluoromethyl)anilino]-1-methylindazole-7-carboxamide

3-amino-4-(2-chloro-5-fluorophenoxy)-N-ethyl-5-[3-fluoro-5-(trifluoromethyl)anilino]-1-methylindazole-7-carboxamide (PubChem CID 170435461) has the molecular formula C24H19ClF5N5O2 and a molecular weight of 539.89 g/mol. Its IUPAC name is 3-amino-4-(2-chloro-5-fluorophenoxy)-N-ethyl-5-[3-fluoro-5-(trifluoromethyl)anilino]-1-methylindazole-7-carboxamide.

Molecular Properties

Compound Name3-amino-4-(2-chloro-5-fluorophenoxy)-N-ethyl-5-[3-fluoro-5-(trifluoromethyl)anilino]-1-methylindazole-7-carboxamide
PubChem CID170435461
Molecular FormulaC24H19ClF5N5O2
Molecular Weight539.89 g/mol
Exact Mass539.11
IUPAC Name3-amino-4-(2-chloro-5-fluorophenoxy)-N-ethyl-5-[3-fluoro-5-(trifluoromethyl)anilino]-1-methylindazole-7-carboxamide
SMILESCCNC(=O)c1cc(Nc2cc(F)cc(C(F)(F)F)c2)c(Oc2cc(F)ccc2Cl)c2c(N)nn(C)c12
InChIInChI=1S/C24H19ClF5N5O2/c1-3-32-23(36)15-10-17(33-14-7-11(24(28,29)30)6-13(27)8-14)21(19-20(15)35(2)34-22(19)31)37-18-9-12(26)4-5-16(18)25/h4-10,33H,3H2,1-2H3,(H2,31,34)(H,32,36)
InChIKeyHYDYZYYZRKJSNA-UHFFFAOYSA-N
XLogP6.39
TPSA94.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.89
LogP ≤ 56.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-amino-4-(2-chloro-5-fluorophenoxy)-7-(3-hydroxy-3-methylbut-1-ynyl)-1-methylindazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 170435295
N-[3-amino-4-(2-chloro-5-fluorophenoxy)-1-methyl-7-[2-(1-methylimidazol-4-yl)ethynyl]indazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 170435188
N-[7-chloro-4-(2-chloro-5-fluorophenoxy)-1-methyl-3-(methylamino)indazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 170435202
N-[3-amino-1-(2-amino-2-oxoethyl)-7-bromo-4-(2-chloro-5-fluorophenoxy)indazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 170435278
methyl 2-[3-amino-4-(2-chloro-5-fluorophenoxy)-5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-1-iodophosphanylindazol-7-yl]benzoate
CID 170615610
2-[7-bromo-4-(2-chloro-5-fluorophenoxy)-3-(1,3-dioxoisoindol-2-yl)-5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]indazol-1-yl]acetic acid
CID 170435329
2-[4-(2-chloro-5-fluorophenoxy)-3-(1,3-dioxoisoindol-2-yl)-5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]indazol-1-yl]acetic acid
CID 170435399
N-[4-(2-chloro-5-fluorophenoxy)-3-(1,3-dioxoisoindol-2-yl)-7-ethenyl-1-prop-2-enylindazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 170435293
4-chloro-N-ethyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19268098
2-[5-amino-7-chloro-4-(2-chloro-5-fluorophenoxy)-1-methylindazol-3-yl]isoindole-1,3-dione
CID 170435331
N-[6-(2-chloro-5-fluorobenzoyl)-7-cyano-3-(3,3-difluoropropyl)-2-methylindazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 170750689
N-[3-(2-chloro-5-fluorophenyl)-6-[(1-methyl-1,2,4-triazol-3-yl)amino]-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 166822147

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2-chloro-5-fluorophenoxy)-N-ethyl-5-[3-fluoro-5-(trifluoromethyl)anilino]-1-methylindazole-7-carboxamide?
The IUPAC name of 3-amino-4-(2-chloro-5-fluorophenoxy)-N-ethyl-5-[3-fluoro-5-(trifluoromethyl)anilino]-1-methylindazole-7-carboxamide (CID 170435461) is 3-amino-4-(2-chloro-5-fluorophenoxy)-N-ethyl-5-[3-fluoro-5-(trifluoromethyl)anilino]-1-methylindazole-7-carboxamide.
What is the SMILES notation for 3-amino-4-(2-chloro-5-fluorophenoxy)-N-ethyl-5-[3-fluoro-5-(trifluoromethyl)anilino]-1-methylindazole-7-carboxamide?
The canonical SMILES for 3-amino-4-(2-chloro-5-fluorophenoxy)-N-ethyl-5-[3-fluoro-5-(trifluoromethyl)anilino]-1-methylindazole-7-carboxamide is CCNC(=O)c1cc(Nc2cc(F)cc(C(F)(F)F)c2)c(Oc2cc(F)ccc2Cl)c2c(N)nn(C)c12.
What is the InChIKey of 3-amino-4-(2-chloro-5-fluorophenoxy)-N-ethyl-5-[3-fluoro-5-(trifluoromethyl)anilino]-1-methylindazole-7-carboxamide?
The InChIKey is HYDYZYYZRKJSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClF5N5O2/c1-3-32-23(36)15-10-17(33-14-7-11(24(28,29)30)6-13(27)8-14)21(19-20(15)35(2)34-22(19)31)37-18-9-12(26)4-5-16(18)25/h4-10,33H,3H2,1-2H3,(H2,31,34)(H,32,36).
What are the key properties of 3-amino-4-(2-chloro-5-fluorophenoxy)-N-ethyl-5-[3-fluoro-5-(trifluoromethyl)anilino]-1-methylindazole-7-carboxamide?
3-amino-4-(2-chloro-5-fluorophenoxy)-N-ethyl-5-[3-fluoro-5-(trifluoromethyl)anilino]-1-methylindazole-7-carboxamide has a molecular weight of 539.89 g/mol, XLogP of 6.39, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2-chloro-5-fluorophenoxy)-N-ethyl-5-[3-fluoro-5-(trifluoromethyl)anilino]-1-methylindazole-7-carboxamide is sourced from PubChem (CID 170435461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).