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

C20H15ClFN3O — CID 22225633

IUPAC6-chloro-7-fluoro-N-(4-methoxyphenyl)-5-phenyl-1H-indazol-3-amine
SMILESCOc1ccc(Nc2n[nH]c3c(F)c(Cl)c(-c4ccccc4)cc23)cc1
InChIInChI=1S/C20H15ClFN3O/c1-26-14-9-7-13(8-10-14)23-20-16-11-15(12-5-3-2-4-6-12)17(21)18(22)19(16)24-25-20/h2-11H,1H3,(H2,23,24,25)
InChIKeyPLCUYXZQBKMEQM-UHFFFAOYSA-N
MW367.81 g/mol
LogP5.77
Rot. Bonds4

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

6-chloro-7-fluoro-N-(4-methoxyphenyl)-5-phenyl-1H-indazol-3-amine (PubChem CID 22225633) has the molecular formula C20H15ClFN3O and a molecular weight of 367.81 g/mol. Its IUPAC name is 6-chloro-7-fluoro-N-(4-methoxyphenyl)-5-phenyl-1H-indazol-3-amine.

Molecular Properties

Compound Name6-chloro-7-fluoro-N-(4-methoxyphenyl)-5-phenyl-1H-indazol-3-amine
PubChem CID22225633
Molecular FormulaC20H15ClFN3O
Molecular Weight367.81 g/mol
Exact Mass367.09
IUPAC Name6-chloro-7-fluoro-N-(4-methoxyphenyl)-5-phenyl-1H-indazol-3-amine
SMILESCOc1ccc(Nc2n[nH]c3c(F)c(Cl)c(-c4ccccc4)cc23)cc1
InChIInChI=1S/C20H15ClFN3O/c1-26-14-9-7-13(8-10-14)23-20-16-11-15(12-5-3-2-4-6-12)17(21)18(22)19(16)24-25-20/h2-11H,1H3,(H2,23,24,25)
InChIKeyPLCUYXZQBKMEQM-UHFFFAOYSA-N
XLogP5.77
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.81
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-fluoro-N-(4-methoxyphenyl)-5-phenyl-1H-indazol-3-amine?
The IUPAC name of 6-chloro-7-fluoro-N-(4-methoxyphenyl)-5-phenyl-1H-indazol-3-amine (CID 22225633) is 6-chloro-7-fluoro-N-(4-methoxyphenyl)-5-phenyl-1H-indazol-3-amine.
What is the SMILES notation for 6-chloro-7-fluoro-N-(4-methoxyphenyl)-5-phenyl-1H-indazol-3-amine?
The canonical SMILES for 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.
What is the InChIKey of 6-chloro-7-fluoro-N-(4-methoxyphenyl)-5-phenyl-1H-indazol-3-amine?
The InChIKey is PLCUYXZQBKMEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN3O/c1-26-14-9-7-13(8-10-14)23-20-16-11-15(12-5-3-2-4-6-12)17(21)18(22)19(16)24-25-20/h2-11H,1H3,(H2,23,24,25).
What are the key properties of 6-chloro-7-fluoro-N-(4-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 367.81 g/mol, XLogP of 5.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-fluoro-N-(4-methoxyphenyl)-5-phenyl-1H-indazol-3-amine is sourced from PubChem (CID 22225633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).