N'-hydroxy-3-(1H-indazol-5-yl)-2-(3-methylphenyl)-5-(trifluoromethyl)benzenecarboximidamide;N'-hydroxy-3-(1H-indazol-5-yl)-5-(trifluoromethyl)-2-(3,4,5-trifluorophenyl)benzenecarboximidamide

C43H29F9N8O2 — CID 158938233

IUPACN'-hydroxy-3-(1H-indazol-5-yl)-2-(3-methylphenyl)-5-(trifluoromethyl)benzenecarboximidamide;N'-hydroxy-3-(1H-indazol-5-yl)-5-(trifluoromethyl)-2-(3,4,5-trifluorophenyl)benzenecarboximidamide
SMILESCc1cccc(-c2c(C(N)=NO)cc(C(F)(F)F)cc2-c2ccc3[nH]ncc3c2)c1.NC(=NO)c1cc(C(F)(F)F)cc(-c2ccc3[nH]ncc3c2)c1-c1cc(F)c(F)c(F)c1
InChIInChI=1S/C22H17F3N4O.C21H12F6N4O/c1-12-3-2-4-14(7-12)20-17(13-5-6-19-15(8-13)11-27-28-19)9-16(22(23,24)25)10-18(20)21(26)29-30;22-15-4-10(5-16(23)19(15)24)18-13(9-1-2-17-11(3-9)8-29-30-17)6-12(21(25,26)27)7-14(18)20(28)31-32/h2-11,30H,1H3,(H2,26,29)(H,27,28);1-8,32H,(H2,28,31)(H,29,30)
InChIKeyJJXONRYYKAYBMG-UHFFFAOYSA-N
MW860.74 g/mol
LogP10.75
Rot. Bonds6

About N'-hydroxy-3-(1H-indazol-5-yl)-2-(3-methylphenyl)-5-(trifluoromethyl)benzenecarboximidamide;N'-hydroxy-3-(1H-indazol-5-yl)-5-(trifluoromethyl)-2-(3,4,5-trifluorophenyl)benzenecarboximidamide

N'-hydroxy-3-(1H-indazol-5-yl)-2-(3-methylphenyl)-5-(trifluoromethyl)benzenecarboximidamide;N'-hydroxy-3-(1H-indazol-5-yl)-5-(trifluoromethyl)-2-(3,4,5-trifluorophenyl)benzenecarboximidamide (PubChem CID 158938233) has the molecular formula C43H29F9N8O2 and a molecular weight of 860.74 g/mol. Its IUPAC name is N'-hydroxy-3-(1H-indazol-5-yl)-2-(3-methylphenyl)-5-(trifluoromethyl)benzenecarboximidamide;N'-hydroxy-3-(1H-indazol-5-yl)-5-(trifluoromethyl)-2-(3,4,5-trifluorophenyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(1H-indazol-5-yl)-2-(3-methylphenyl)-5-(trifluoromethyl)benzenecarboximidamide;N'-hydroxy-3-(1H-indazol-5-yl)-5-(trifluoromethyl)-2-(3,4,5-trifluorophenyl)benzenecarboximidamide
PubChem CID158938233
Molecular FormulaC43H29F9N8O2
Molecular Weight860.74 g/mol
Exact Mass860.23
IUPAC NameN'-hydroxy-3-(1H-indazol-5-yl)-2-(3-methylphenyl)-5-(trifluoromethyl)benzenecarboximidamide;N'-hydroxy-3-(1H-indazol-5-yl)-5-(trifluoromethyl)-2-(3,4,5-trifluorophenyl)benzenecarboximidamide
SMILESCc1cccc(-c2c(C(N)=NO)cc(C(F)(F)F)cc2-c2ccc3[nH]ncc3c2)c1.NC(=NO)c1cc(C(F)(F)F)cc(-c2ccc3[nH]ncc3c2)c1-c1cc(F)c(F)c(F)c1
InChIInChI=1S/C22H17F3N4O.C21H12F6N4O/c1-12-3-2-4-14(7-12)20-17(13-5-6-19-15(8-13)11-27-28-19)9-16(22(23,24)25)10-18(20)21(26)29-30;22-15-4-10(5-16(23)19(15)24)18-13(9-1-2-17-11(3-9)8-29-30-17)6-12(21(25,26)27)7-14(18)20(28)31-32/h2-11,30H,1H3,(H2,26,29)(H,27,28);1-8,32H,(H2,28,31)(H,29,30)
InChIKeyJJXONRYYKAYBMG-UHFFFAOYSA-N
XLogP10.75
TPSA174.58 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500860.74
LogP ≤ 510.75
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-hydroxy-3-(1H-indazol-5-yl)-2-(3-methylphenyl)-5-(trifluoromethyl)benzenecarboximidamide;N'-hydroxy-3-(1H-indazol-5-yl)-5-(trifluoromethyl)-2-(3,4,5-trifluorophenyl)benzenecarboximidamide with MolForge

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Related Compounds

4-cyclopentyl-6-[4-(2,3-difluorophenyl)-1H-pyrazol-5-yl]-3-ethyl-2H-indazole
CID 69556975
2-(3,5-difluorophenyl)-N'-hydroxy-3-(1H-indazol-5-yl)-5-propylbenzenecarboximidamide
CID 71493105
CID 71493106
CID 71493106
CID 71493279
CID 71493279
CID 71493280
CID 71493280
CID 77992790
CID 77992790
CID 77992854
CID 77992854
CID 77992855
CID 77992855
CID 89401616
CID 89401616
4-[3-(1H-pyrazol-5-yl)phenyl]-6-(trifluoromethyl)-1H-indazole
CID 89783101
4-[4-(1H-pyrazol-5-yl)phenyl]-6-(trifluoromethyl)-1H-indazole
CID 89783601
4-(1H-indazol-5-yl)-6-(trifluoromethyl)-1H-indazole
CID 89794850

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(1H-indazol-5-yl)-2-(3-methylphenyl)-5-(trifluoromethyl)benzenecarboximidamide;N'-hydroxy-3-(1H-indazol-5-yl)-5-(trifluoromethyl)-2-(3,4,5-trifluorophenyl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-(1H-indazol-5-yl)-2-(3-methylphenyl)-5-(trifluoromethyl)benzenecarboximidamide;N'-hydroxy-3-(1H-indazol-5-yl)-5-(trifluoromethyl)-2-(3,4,5-trifluorophenyl)benzenecarboximidamide (CID 158938233) is N'-hydroxy-3-(1H-indazol-5-yl)-2-(3-methylphenyl)-5-(trifluoromethyl)benzenecarboximidamide;N'-hydroxy-3-(1H-indazol-5-yl)-5-(trifluoromethyl)-2-(3,4,5-trifluorophenyl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-(1H-indazol-5-yl)-2-(3-methylphenyl)-5-(trifluoromethyl)benzenecarboximidamide;N'-hydroxy-3-(1H-indazol-5-yl)-5-(trifluoromethyl)-2-(3,4,5-trifluorophenyl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-(1H-indazol-5-yl)-2-(3-methylphenyl)-5-(trifluoromethyl)benzenecarboximidamide;N'-hydroxy-3-(1H-indazol-5-yl)-5-(trifluoromethyl)-2-(3,4,5-trifluorophenyl)benzenecarboximidamide is Cc1cccc(-c2c(C(N)=NO)cc(C(F)(F)F)cc2-c2ccc3[nH]ncc3c2)c1.NC(=NO)c1cc(C(F)(F)F)cc(-c2ccc3[nH]ncc3c2)c1-c1cc(F)c(F)c(F)c1.
What is the InChIKey of N'-hydroxy-3-(1H-indazol-5-yl)-2-(3-methylphenyl)-5-(trifluoromethyl)benzenecarboximidamide;N'-hydroxy-3-(1H-indazol-5-yl)-5-(trifluoromethyl)-2-(3,4,5-trifluorophenyl)benzenecarboximidamide?
The InChIKey is JJXONRYYKAYBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O.C21H12F6N4O/c1-12-3-2-4-14(7-12)20-17(13-5-6-19-15(8-13)11-27-28-19)9-16(22(23,24)25)10-18(20)21(26)29-30;22-15-4-10(5-16(23)19(15)24)18-13(9-1-2-17-11(3-9)8-29-30-17)6-12(21(25,26)27)7-14(18)20(28)31-32/h2-11,30H,1H3,(H2,26,29)(H,27,28);1-8,32H,(H2,28,31)(H,29,30).
What are the key properties of N'-hydroxy-3-(1H-indazol-5-yl)-2-(3-methylphenyl)-5-(trifluoromethyl)benzenecarboximidamide;N'-hydroxy-3-(1H-indazol-5-yl)-5-(trifluoromethyl)-2-(3,4,5-trifluorophenyl)benzenecarboximidamide?
N'-hydroxy-3-(1H-indazol-5-yl)-2-(3-methylphenyl)-5-(trifluoromethyl)benzenecarboximidamide;N'-hydroxy-3-(1H-indazol-5-yl)-5-(trifluoromethyl)-2-(3,4,5-trifluorophenyl)benzenecarboximidamide has a molecular weight of 860.74 g/mol, XLogP of 10.75, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(1H-indazol-5-yl)-2-(3-methylphenyl)-5-(trifluoromethyl)benzenecarboximidamide;N'-hydroxy-3-(1H-indazol-5-yl)-5-(trifluoromethyl)-2-(3,4,5-trifluorophenyl)benzenecarboximidamide is sourced from PubChem (CID 158938233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).