N-[7-chloro-4-(2-chloro-5-fluorophenoxy)-1-methyl-3-(methylamino)indazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide

C23H15Cl2F5N4O2 — CID 170435202

IUPACN-[7-chloro-4-(2-chloro-5-fluorophenoxy)-1-methyl-3-(methylamino)indazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide
SMILESCNc1nn(C)c2c(Cl)cc(NC(=O)c3cc(F)cc(C(F)(F)F)c3)c(Oc3cc(F)ccc3Cl)c12
InChIInChI=1S/C23H15Cl2F5N4O2/c1-31-21-18-19(34(2)33-21)15(25)9-16(20(18)36-17-8-12(26)3-4-14(17)24)32-22(35)10-5-11(23(28,29)30)7-13(27)6-10/h3-9H,1-2H3,(H,31,33)(H,32,35)
InChIKeyGQCJEYFJKUDPAQ-UHFFFAOYSA-N
MW545.30 g/mol
LogP7.26
Rot. Bonds5

About N-[7-chloro-4-(2-chloro-5-fluorophenoxy)-1-methyl-3-(methylamino)indazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide

N-[7-chloro-4-(2-chloro-5-fluorophenoxy)-1-methyl-3-(methylamino)indazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide (PubChem CID 170435202) has the molecular formula C23H15Cl2F5N4O2 and a molecular weight of 545.30 g/mol. Its IUPAC name is N-[7-chloro-4-(2-chloro-5-fluorophenoxy)-1-methyl-3-(methylamino)indazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[7-chloro-4-(2-chloro-5-fluorophenoxy)-1-methyl-3-(methylamino)indazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide
PubChem CID170435202
Molecular FormulaC23H15Cl2F5N4O2
Molecular Weight545.30 g/mol
Exact Mass544.05
IUPAC NameN-[7-chloro-4-(2-chloro-5-fluorophenoxy)-1-methyl-3-(methylamino)indazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide
SMILESCNc1nn(C)c2c(Cl)cc(NC(=O)c3cc(F)cc(C(F)(F)F)c3)c(Oc3cc(F)ccc3Cl)c12
InChIInChI=1S/C23H15Cl2F5N4O2/c1-31-21-18-19(34(2)33-21)15(25)9-16(20(18)36-17-8-12(26)3-4-14(17)24)32-22(35)10-5-11(23(28,29)30)7-13(27)6-10/h3-9H,1-2H3,(H,31,33)(H,32,35)
InChIKeyGQCJEYFJKUDPAQ-UHFFFAOYSA-N
XLogP7.26
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.30
LogP ≤ 57.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-[3-amino-1-(2-amino-2-oxoethyl)-7-bromo-4-(2-chloro-5-fluorophenoxy)indazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 170435278
N-[1-[2-(azetidin-1-yl)ethyl]-7-chloro-4-(2-chloro-5-fluorophenoxy)-3-(1,3-dioxoisoindol-2-yl)indazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 170435406
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
3-amino-4-(2-chloro-5-fluorophenoxy)-N-ethyl-5-[3-fluoro-5-(trifluoromethyl)anilino]-1-methylindazole-7-carboxamide
CID 170435461
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
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-[6-(2-chloro-4-fluorophenyl)-2-methyl-8-oxo-6,7-dihydropyrrolo[3,4-e]indazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 170750141
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
N-[6-(2-chloro-5-fluorophenyl)-3-formyl-2-methyl-8-oxo-6,7-dihydropyrrolo[3,4-g]indazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 170750006

Frequently Asked Questions

What is the IUPAC name of N-[7-chloro-4-(2-chloro-5-fluorophenoxy)-1-methyl-3-(methylamino)indazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide?
The IUPAC name of N-[7-chloro-4-(2-chloro-5-fluorophenoxy)-1-methyl-3-(methylamino)indazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide (CID 170435202) is N-[7-chloro-4-(2-chloro-5-fluorophenoxy)-1-methyl-3-(methylamino)indazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[7-chloro-4-(2-chloro-5-fluorophenoxy)-1-methyl-3-(methylamino)indazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-[7-chloro-4-(2-chloro-5-fluorophenoxy)-1-methyl-3-(methylamino)indazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide is CNc1nn(C)c2c(Cl)cc(NC(=O)c3cc(F)cc(C(F)(F)F)c3)c(Oc3cc(F)ccc3Cl)c12.
What is the InChIKey of N-[7-chloro-4-(2-chloro-5-fluorophenoxy)-1-methyl-3-(methylamino)indazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide?
The InChIKey is GQCJEYFJKUDPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl2F5N4O2/c1-31-21-18-19(34(2)33-21)15(25)9-16(20(18)36-17-8-12(26)3-4-14(17)24)32-22(35)10-5-11(23(28,29)30)7-13(27)6-10/h3-9H,1-2H3,(H,31,33)(H,32,35).
What are the key properties of N-[7-chloro-4-(2-chloro-5-fluorophenoxy)-1-methyl-3-(methylamino)indazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide?
N-[7-chloro-4-(2-chloro-5-fluorophenoxy)-1-methyl-3-(methylamino)indazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide has a molecular weight of 545.30 g/mol, XLogP of 7.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-chloro-4-(2-chloro-5-fluorophenoxy)-1-methyl-3-(methylamino)indazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 170435202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).