6-chloro-7-fluoro-N,5-diphenyl-1H-indazol-3-amine;6-chloro-7-fluoro-N-(3-methoxyphenyl)-5-phenyl-1H-indazol-3-amine;6-chloro-7-fluoro-N-(4-methoxyphenyl)-5-phenyl-1H-indazol-3-amine

C59H43Cl3F3N9O2 — CID 157126465

IUPAC6-chloro-7-fluoro-N,5-diphenyl-1H-indazol-3-amine;6-chloro-7-fluoro-N-(3-methoxyphenyl)-5-phenyl-1H-indazol-3-amine;6-chloro-7-fluoro-N-(4-methoxyphenyl)-5-phenyl-1H-indazol-3-amine
SMILESCOc1ccc(Nc2n[nH]c3c(F)c(Cl)c(-c4ccccc4)cc23)cc1.COc1cccc(Nc2n[nH]c3c(F)c(Cl)c(-c4ccccc4)cc23)c1.Fc1c(Cl)c(-c2ccccc2)cc2c(Nc3ccccc3)n[nH]c12
InChIInChI=1S/2C20H15ClFN3O.C19H13ClFN3/c1-26-14-9-5-8-13(10-14)23-20-16-11-15(12-6-3-2-4-7-12)17(21)18(22)19(16)24-25-20;1-26-14-9-7-13(8-10-14)23-20-16-11-15(12-5-3-2-4-6-12)17(21)18(22)19(16)24-25-20;20-16-14(12-7-3-1-4-8-12)11-15-18(17(16)21)23-24-19(15)22-13-9-5-2-6-10-13/h2*2-11H,1H3,(H2,23,24,25);1-11H,(H2,22,23,24)
InChIKeyAIODXUQWCFPTSO-UHFFFAOYSA-N
MW1073.41 g/mol
LogP17.32
Rot. Bonds11

About 6-chloro-7-fluoro-N,5-diphenyl-1H-indazol-3-amine;6-chloro-7-fluoro-N-(3-methoxyphenyl)-5-phenyl-1H-indazol-3-amine;6-chloro-7-fluoro-N-(4-methoxyphenyl)-5-phenyl-1H-indazol-3-amine

6-chloro-7-fluoro-N,5-diphenyl-1H-indazol-3-amine;6-chloro-7-fluoro-N-(3-methoxyphenyl)-5-phenyl-1H-indazol-3-amine;6-chloro-7-fluoro-N-(4-methoxyphenyl)-5-phenyl-1H-indazol-3-amine (PubChem CID 157126465) has the molecular formula C59H43Cl3F3N9O2 and a molecular weight of 1073.41 g/mol. Its IUPAC name is 6-chloro-7-fluoro-N,5-diphenyl-1H-indazol-3-amine;6-chloro-7-fluoro-N-(3-methoxyphenyl)-5-phenyl-1H-indazol-3-amine;6-chloro-7-fluoro-N-(4-methoxyphenyl)-5-phenyl-1H-indazol-3-amine.

Molecular Properties

Compound Name6-chloro-7-fluoro-N,5-diphenyl-1H-indazol-3-amine;6-chloro-7-fluoro-N-(3-methoxyphenyl)-5-phenyl-1H-indazol-3-amine;6-chloro-7-fluoro-N-(4-methoxyphenyl)-5-phenyl-1H-indazol-3-amine
PubChem CID157126465
Molecular FormulaC59H43Cl3F3N9O2
Molecular Weight1073.41 g/mol
Exact Mass1071.26
IUPAC Name6-chloro-7-fluoro-N,5-diphenyl-1H-indazol-3-amine;6-chloro-7-fluoro-N-(3-methoxyphenyl)-5-phenyl-1H-indazol-3-amine;6-chloro-7-fluoro-N-(4-methoxyphenyl)-5-phenyl-1H-indazol-3-amine
SMILESCOc1ccc(Nc2n[nH]c3c(F)c(Cl)c(-c4ccccc4)cc23)cc1.COc1cccc(Nc2n[nH]c3c(F)c(Cl)c(-c4ccccc4)cc23)c1.Fc1c(Cl)c(-c2ccccc2)cc2c(Nc3ccccc3)n[nH]c12
InChIInChI=1S/2C20H15ClFN3O.C19H13ClFN3/c1-26-14-9-5-8-13(10-14)23-20-16-11-15(12-6-3-2-4-7-12)17(21)18(22)19(16)24-25-20;1-26-14-9-7-13(8-10-14)23-20-16-11-15(12-5-3-2-4-6-12)17(21)18(22)19(16)24-25-20;20-16-14(12-7-3-1-4-8-12)11-15-18(17(16)21)23-24-19(15)22-13-9-5-2-6-10-13/h2*2-11H,1H3,(H2,23,24,25);1-11H,(H2,22,23,24)
InChIKeyAIODXUQWCFPTSO-UHFFFAOYSA-N
XLogP17.32
TPSA140.59 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001073.41
LogP ≤ 517.32
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze 6-chloro-7-fluoro-N,5-diphenyl-1H-indazol-3-amine;6-chloro-7-fluoro-N-(3-methoxyphenyl)-5-phenyl-1H-indazol-3-amine;6-chloro-7-fluoro-N-(4-methoxyphenyl)-5-phenyl-1H-indazol-3-amine with MolForge

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Related Compounds

N-(3-chlorophenyl)-5-methoxy-1H-indazol-3-amine
CID 24991698
6-chloro-N-(cyclopentylmethyl)-7-fluoro-5-phenyl-1H-indazol-3-amine;6-chloro-7-fluoro-N-(3-methylsulfanylpropyl)-5-phenyl-1H-indazol-3-amine
CID 159937550
5-(3-chlorophenyl)-3-N-(3-methoxyphenyl)-1H-pyrazole-3,4-diamine
CID 57025885
2-(2-fluorophenyl)-N-(3-methoxyphenyl)quinazolin-4-amine
CID 757186
4-fluoro-5-(4-fluorophenyl)-N-(4-methoxyphenyl)-1H-pyrazol-3-amine
CID 53307036
2-(4-methoxyanilino)-4,6-diphenylpyridine-3-carbonitrile
CID 3360693
6-chloro-N-(3-methoxyphenyl)-2,5-dimethylpyrimidin-4-amine
CID 55229292
4-chloro-N-(4-methoxyphenyl)-5-phenylpyrimidin-2-amine
CID 154358319
N-(4-fluorophenyl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine
CID 71139183
2-N-[3-(4-methoxyphenyl)phenyl]-4-N,6-N-bis(3-phenylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 59030065
1-N,2-N-bis(3-methoxyphenyl)benzene-1,2-diamine
CID 19351985
5-(3-methoxyanilino)-6-methyl-2H-1,2,4-triazine-3-thione
CID 23412255

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-fluoro-N,5-diphenyl-1H-indazol-3-amine;6-chloro-7-fluoro-N-(3-methoxyphenyl)-5-phenyl-1H-indazol-3-amine;6-chloro-7-fluoro-N-(4-methoxyphenyl)-5-phenyl-1H-indazol-3-amine?
The IUPAC name of 6-chloro-7-fluoro-N,5-diphenyl-1H-indazol-3-amine;6-chloro-7-fluoro-N-(3-methoxyphenyl)-5-phenyl-1H-indazol-3-amine;6-chloro-7-fluoro-N-(4-methoxyphenyl)-5-phenyl-1H-indazol-3-amine (CID 157126465) is 6-chloro-7-fluoro-N,5-diphenyl-1H-indazol-3-amine;6-chloro-7-fluoro-N-(3-methoxyphenyl)-5-phenyl-1H-indazol-3-amine;6-chloro-7-fluoro-N-(4-methoxyphenyl)-5-phenyl-1H-indazol-3-amine.
What is the SMILES notation for 6-chloro-7-fluoro-N,5-diphenyl-1H-indazol-3-amine;6-chloro-7-fluoro-N-(3-methoxyphenyl)-5-phenyl-1H-indazol-3-amine;6-chloro-7-fluoro-N-(4-methoxyphenyl)-5-phenyl-1H-indazol-3-amine?
The canonical SMILES for 6-chloro-7-fluoro-N,5-diphenyl-1H-indazol-3-amine;6-chloro-7-fluoro-N-(3-methoxyphenyl)-5-phenyl-1H-indazol-3-amine;6-chloro-7-fluoro-N-(4-methoxyphenyl)-5-phenyl-1H-indazol-3-amine is COc1ccc(Nc2n[nH]c3c(F)c(Cl)c(-c4ccccc4)cc23)cc1.COc1cccc(Nc2n[nH]c3c(F)c(Cl)c(-c4ccccc4)cc23)c1.Fc1c(Cl)c(-c2ccccc2)cc2c(Nc3ccccc3)n[nH]c12.
What is the InChIKey of 6-chloro-7-fluoro-N,5-diphenyl-1H-indazol-3-amine;6-chloro-7-fluoro-N-(3-methoxyphenyl)-5-phenyl-1H-indazol-3-amine;6-chloro-7-fluoro-N-(4-methoxyphenyl)-5-phenyl-1H-indazol-3-amine?
The InChIKey is AIODXUQWCFPTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H15ClFN3O.C19H13ClFN3/c1-26-14-9-5-8-13(10-14)23-20-16-11-15(12-6-3-2-4-7-12)17(21)18(22)19(16)24-25-20;1-26-14-9-7-13(8-10-14)23-20-16-11-15(12-5-3-2-4-6-12)17(21)18(22)19(16)24-25-20;20-16-14(12-7-3-1-4-8-12)11-15-18(17(16)21)23-24-19(15)22-13-9-5-2-6-10-13/h2*2-11H,1H3,(H2,23,24,25);1-11H,(H2,22,23,24).
What are the key properties of 6-chloro-7-fluoro-N,5-diphenyl-1H-indazol-3-amine;6-chloro-7-fluoro-N-(3-methoxyphenyl)-5-phenyl-1H-indazol-3-amine;6-chloro-7-fluoro-N-(4-methoxyphenyl)-5-phenyl-1H-indazol-3-amine?
6-chloro-7-fluoro-N,5-diphenyl-1H-indazol-3-amine;6-chloro-7-fluoro-N-(3-methoxyphenyl)-5-phenyl-1H-indazol-3-amine;6-chloro-7-fluoro-N-(4-methoxyphenyl)-5-phenyl-1H-indazol-3-amine has a molecular weight of 1073.41 g/mol, XLogP of 17.32, 11 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-fluoro-N,5-diphenyl-1H-indazol-3-amine;6-chloro-7-fluoro-N-(3-methoxyphenyl)-5-phenyl-1H-indazol-3-amine;6-chloro-7-fluoro-N-(4-methoxyphenyl)-5-phenyl-1H-indazol-3-amine is sourced from PubChem (CID 157126465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).