5-bromo-2-fluorobenzaldehyde;5-bromo-1-(3-methylphenyl)indazole;N-cyclopropyl-3-fluoro-4-methyl-5-[1-(3-methylphenyl)indazol-5-yl]benzamide;(3-methylphenyl)hydrazine

C53H47Br2F2N7O2 — CID 157074159

IUPAC5-bromo-2-fluorobenzaldehyde;5-bromo-1-(3-methylphenyl)indazole;N-cyclopropyl-3-fluoro-4-methyl-5-[1-(3-methylphenyl)indazol-5-yl]benzamide;(3-methylphenyl)hydrazine
SMILESCc1cccc(-n2ncc3cc(-c4cc(C(=O)NC5CC5)cc(F)c4C)ccc32)c1.Cc1cccc(-n2ncc3cc(Br)ccc32)c1.Cc1cccc(NN)c1.O=Cc1cc(Br)ccc1F
InChIInChI=1S/C25H22FN3O.C14H11BrN2.C7H4BrFO.C7H10N2/c1-15-4-3-5-21(10-15)29-24-9-6-17(11-19(24)14-27-29)22-12-18(13-23(26)16(22)2)25(30)28-20-7-8-20;1-10-3-2-4-13(7-10)17-14-6-5-12(15)8-11(14)9-16-17;8-6-1-2-7(9)5(3-6)4-10;1-6-3-2-4-7(5-6)9-8/h3-6,9-14,20H,7-8H2,1-2H3,(H,28,30);2-9H,1H3;1-4H;2-5,9H,8H2,1H3
InChIKeyACTUOMSYAOXVDV-UHFFFAOYSA-N
MW1011.81 g/mol
LogP13.12
Rot. Bonds7

About 5-bromo-2-fluorobenzaldehyde;5-bromo-1-(3-methylphenyl)indazole;N-cyclopropyl-3-fluoro-4-methyl-5-[1-(3-methylphenyl)indazol-5-yl]benzamide;(3-methylphenyl)hydrazine

5-bromo-2-fluorobenzaldehyde;5-bromo-1-(3-methylphenyl)indazole;N-cyclopropyl-3-fluoro-4-methyl-5-[1-(3-methylphenyl)indazol-5-yl]benzamide;(3-methylphenyl)hydrazine (PubChem CID 157074159) has the molecular formula C53H47Br2F2N7O2 and a molecular weight of 1011.81 g/mol. Its IUPAC name is 5-bromo-2-fluorobenzaldehyde;5-bromo-1-(3-methylphenyl)indazole;N-cyclopropyl-3-fluoro-4-methyl-5-[1-(3-methylphenyl)indazol-5-yl]benzamide;(3-methylphenyl)hydrazine.

Molecular Properties

Compound Name5-bromo-2-fluorobenzaldehyde;5-bromo-1-(3-methylphenyl)indazole;N-cyclopropyl-3-fluoro-4-methyl-5-[1-(3-methylphenyl)indazol-5-yl]benzamide;(3-methylphenyl)hydrazine
PubChem CID157074159
Molecular FormulaC53H47Br2F2N7O2
Molecular Weight1011.81 g/mol
Exact Mass1009.21
IUPAC Name5-bromo-2-fluorobenzaldehyde;5-bromo-1-(3-methylphenyl)indazole;N-cyclopropyl-3-fluoro-4-methyl-5-[1-(3-methylphenyl)indazol-5-yl]benzamide;(3-methylphenyl)hydrazine
SMILESCc1cccc(-n2ncc3cc(-c4cc(C(=O)NC5CC5)cc(F)c4C)ccc32)c1.Cc1cccc(-n2ncc3cc(Br)ccc32)c1.Cc1cccc(NN)c1.O=Cc1cc(Br)ccc1F
InChIInChI=1S/C25H22FN3O.C14H11BrN2.C7H4BrFO.C7H10N2/c1-15-4-3-5-21(10-15)29-24-9-6-17(11-19(24)14-27-29)22-12-18(13-23(26)16(22)2)25(30)28-20-7-8-20;1-10-3-2-4-13(7-10)17-14-6-5-12(15)8-11(14)9-16-17;8-6-1-2-7(9)5(3-6)4-10;1-6-3-2-4-7(5-6)9-8/h3-6,9-14,20H,7-8H2,1-2H3,(H,28,30);2-9H,1H3;1-4H;2-5,9H,8H2,1H3
InChIKeyACTUOMSYAOXVDV-UHFFFAOYSA-N
XLogP13.12
TPSA119.86 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001011.81
LogP ≤ 513.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[1-(4-Bromophenyl)-1H-indazol-5-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide
CID 11655628
3-bromo-N-(3-methylphenyl)benzamide;N-[(3-bromophenyl)methyl]-3-methylaniline;1-ethylpyrrolidine;5-methyl-1H-indazole;6-methyl-1H-indazole;N-(3-methylphenyl)cyclopentanecarboxamide;5-methylquinoline
CID 158530090
1-(6-bromoindazol-1-yl)ethanone;5-bromo-2-methylaniline;N-cyclopropyl-3-(1H-indazol-6-yl)-4-methylbenzamide
CID 158877709
1-(6-bromoindazol-1-yl)ethanone;5-bromo-2-methylaniline;N-cyclopropyl-3-(1H-indazol-6-yl)-4-methylbenzamide;ethane
CID 160403546

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluorobenzaldehyde;5-bromo-1-(3-methylphenyl)indazole;N-cyclopropyl-3-fluoro-4-methyl-5-[1-(3-methylphenyl)indazol-5-yl]benzamide;(3-methylphenyl)hydrazine?
The IUPAC name of 5-bromo-2-fluorobenzaldehyde;5-bromo-1-(3-methylphenyl)indazole;N-cyclopropyl-3-fluoro-4-methyl-5-[1-(3-methylphenyl)indazol-5-yl]benzamide;(3-methylphenyl)hydrazine (CID 157074159) is 5-bromo-2-fluorobenzaldehyde;5-bromo-1-(3-methylphenyl)indazole;N-cyclopropyl-3-fluoro-4-methyl-5-[1-(3-methylphenyl)indazol-5-yl]benzamide;(3-methylphenyl)hydrazine.
What is the SMILES notation for 5-bromo-2-fluorobenzaldehyde;5-bromo-1-(3-methylphenyl)indazole;N-cyclopropyl-3-fluoro-4-methyl-5-[1-(3-methylphenyl)indazol-5-yl]benzamide;(3-methylphenyl)hydrazine?
The canonical SMILES for 5-bromo-2-fluorobenzaldehyde;5-bromo-1-(3-methylphenyl)indazole;N-cyclopropyl-3-fluoro-4-methyl-5-[1-(3-methylphenyl)indazol-5-yl]benzamide;(3-methylphenyl)hydrazine is Cc1cccc(-n2ncc3cc(-c4cc(C(=O)NC5CC5)cc(F)c4C)ccc32)c1.Cc1cccc(-n2ncc3cc(Br)ccc32)c1.Cc1cccc(NN)c1.O=Cc1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-2-fluorobenzaldehyde;5-bromo-1-(3-methylphenyl)indazole;N-cyclopropyl-3-fluoro-4-methyl-5-[1-(3-methylphenyl)indazol-5-yl]benzamide;(3-methylphenyl)hydrazine?
The InChIKey is ACTUOMSYAOXVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O.C14H11BrN2.C7H4BrFO.C7H10N2/c1-15-4-3-5-21(10-15)29-24-9-6-17(11-19(24)14-27-29)22-12-18(13-23(26)16(22)2)25(30)28-20-7-8-20;1-10-3-2-4-13(7-10)17-14-6-5-12(15)8-11(14)9-16-17;8-6-1-2-7(9)5(3-6)4-10;1-6-3-2-4-7(5-6)9-8/h3-6,9-14,20H,7-8H2,1-2H3,(H,28,30);2-9H,1H3;1-4H;2-5,9H,8H2,1H3.
What are the key properties of 5-bromo-2-fluorobenzaldehyde;5-bromo-1-(3-methylphenyl)indazole;N-cyclopropyl-3-fluoro-4-methyl-5-[1-(3-methylphenyl)indazol-5-yl]benzamide;(3-methylphenyl)hydrazine?
5-bromo-2-fluorobenzaldehyde;5-bromo-1-(3-methylphenyl)indazole;N-cyclopropyl-3-fluoro-4-methyl-5-[1-(3-methylphenyl)indazol-5-yl]benzamide;(3-methylphenyl)hydrazine has a molecular weight of 1011.81 g/mol, XLogP of 13.12, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluorobenzaldehyde;5-bromo-1-(3-methylphenyl)indazole;N-cyclopropyl-3-fluoro-4-methyl-5-[1-(3-methylphenyl)indazol-5-yl]benzamide;(3-methylphenyl)hydrazine is sourced from PubChem (CID 157074159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).