6-chloro-N-[3-fluoro-5-(trifluoromethyl)phenyl]-5-phenyl-1H-indazol-3-amine;6-chloro-5-phenyl-N-[4-(trifluoromethyl)phenyl]-1H-indazol-3-amine

C40H25Cl2F7N6 — CID 87956485

IUPAC6-chloro-N-[3-fluoro-5-(trifluoromethyl)phenyl]-5-phenyl-1H-indazol-3-amine;6-chloro-5-phenyl-N-[4-(trifluoromethyl)phenyl]-1H-indazol-3-amine
SMILESFC(F)(F)c1ccc(Nc2n[nH]c3cc(Cl)c(-c4ccccc4)cc23)cc1.Fc1cc(Nc2n[nH]c3cc(Cl)c(-c4ccccc4)cc23)cc(C(F)(F)F)c1
InChIInChI=1S/C20H12ClF4N3.C20H13ClF3N3/c21-17-10-18-16(9-15(17)11-4-2-1-3-5-11)19(28-27-18)26-14-7-12(20(23,24)25)6-13(22)8-14;21-17-11-18-16(10-15(17)12-4-2-1-3-5-12)19(27-26-18)25-14-8-6-13(7-9-14)20(22,23)24/h1-10H,(H2,26,27,28);1-11H,(H2,25,26,27)
InChIKeyMZMPYBZJBIOJLQ-UHFFFAOYSA-N
MW793.57 g/mol
LogP13.43
Rot. Bonds6

About 6-chloro-N-[3-fluoro-5-(trifluoromethyl)phenyl]-5-phenyl-1H-indazol-3-amine;6-chloro-5-phenyl-N-[4-(trifluoromethyl)phenyl]-1H-indazol-3-amine

6-chloro-N-[3-fluoro-5-(trifluoromethyl)phenyl]-5-phenyl-1H-indazol-3-amine;6-chloro-5-phenyl-N-[4-(trifluoromethyl)phenyl]-1H-indazol-3-amine (PubChem CID 87956485) has the molecular formula C40H25Cl2F7N6 and a molecular weight of 793.57 g/mol. Its IUPAC name is 6-chloro-N-[3-fluoro-5-(trifluoromethyl)phenyl]-5-phenyl-1H-indazol-3-amine;6-chloro-5-phenyl-N-[4-(trifluoromethyl)phenyl]-1H-indazol-3-amine.

Molecular Properties

Compound Name6-chloro-N-[3-fluoro-5-(trifluoromethyl)phenyl]-5-phenyl-1H-indazol-3-amine;6-chloro-5-phenyl-N-[4-(trifluoromethyl)phenyl]-1H-indazol-3-amine
PubChem CID87956485
Molecular FormulaC40H25Cl2F7N6
Molecular Weight793.57 g/mol
Exact Mass792.14
IUPAC Name6-chloro-N-[3-fluoro-5-(trifluoromethyl)phenyl]-5-phenyl-1H-indazol-3-amine;6-chloro-5-phenyl-N-[4-(trifluoromethyl)phenyl]-1H-indazol-3-amine
SMILESFC(F)(F)c1ccc(Nc2n[nH]c3cc(Cl)c(-c4ccccc4)cc23)cc1.Fc1cc(Nc2n[nH]c3cc(Cl)c(-c4ccccc4)cc23)cc(C(F)(F)F)c1
InChIInChI=1S/C20H12ClF4N3.C20H13ClF3N3/c21-17-10-18-16(9-15(17)11-4-2-1-3-5-11)19(28-27-18)26-14-7-12(20(23,24)25)6-13(22)8-14;21-17-11-18-16(10-15(17)12-4-2-1-3-5-12)19(27-26-18)25-14-8-6-13(7-9-14)20(22,23)24/h1-10H,(H2,26,27,28);1-11H,(H2,25,26,27)
InChIKeyMZMPYBZJBIOJLQ-UHFFFAOYSA-N
XLogP13.43
TPSA81.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.57
LogP ≤ 513.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-fluoro-5-(trifluoromethyl)phenyl]-5-phenyl-1H-indazol-3-amine;6-chloro-5-phenyl-N-[4-(trifluoromethyl)phenyl]-1H-indazol-3-amine?
The IUPAC name of 6-chloro-N-[3-fluoro-5-(trifluoromethyl)phenyl]-5-phenyl-1H-indazol-3-amine;6-chloro-5-phenyl-N-[4-(trifluoromethyl)phenyl]-1H-indazol-3-amine (CID 87956485) is 6-chloro-N-[3-fluoro-5-(trifluoromethyl)phenyl]-5-phenyl-1H-indazol-3-amine;6-chloro-5-phenyl-N-[4-(trifluoromethyl)phenyl]-1H-indazol-3-amine.
What is the SMILES notation for 6-chloro-N-[3-fluoro-5-(trifluoromethyl)phenyl]-5-phenyl-1H-indazol-3-amine;6-chloro-5-phenyl-N-[4-(trifluoromethyl)phenyl]-1H-indazol-3-amine?
The canonical SMILES for 6-chloro-N-[3-fluoro-5-(trifluoromethyl)phenyl]-5-phenyl-1H-indazol-3-amine;6-chloro-5-phenyl-N-[4-(trifluoromethyl)phenyl]-1H-indazol-3-amine is FC(F)(F)c1ccc(Nc2n[nH]c3cc(Cl)c(-c4ccccc4)cc23)cc1.Fc1cc(Nc2n[nH]c3cc(Cl)c(-c4ccccc4)cc23)cc(C(F)(F)F)c1.
What is the InChIKey of 6-chloro-N-[3-fluoro-5-(trifluoromethyl)phenyl]-5-phenyl-1H-indazol-3-amine;6-chloro-5-phenyl-N-[4-(trifluoromethyl)phenyl]-1H-indazol-3-amine?
The InChIKey is MZMPYBZJBIOJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClF4N3.C20H13ClF3N3/c21-17-10-18-16(9-15(17)11-4-2-1-3-5-11)19(28-27-18)26-14-7-12(20(23,24)25)6-13(22)8-14;21-17-11-18-16(10-15(17)12-4-2-1-3-5-12)19(27-26-18)25-14-8-6-13(7-9-14)20(22,23)24/h1-10H,(H2,26,27,28);1-11H,(H2,25,26,27).
What are the key properties of 6-chloro-N-[3-fluoro-5-(trifluoromethyl)phenyl]-5-phenyl-1H-indazol-3-amine;6-chloro-5-phenyl-N-[4-(trifluoromethyl)phenyl]-1H-indazol-3-amine?
6-chloro-N-[3-fluoro-5-(trifluoromethyl)phenyl]-5-phenyl-1H-indazol-3-amine;6-chloro-5-phenyl-N-[4-(trifluoromethyl)phenyl]-1H-indazol-3-amine has a molecular weight of 793.57 g/mol, XLogP of 13.43, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-fluoro-5-(trifluoromethyl)phenyl]-5-phenyl-1H-indazol-3-amine;6-chloro-5-phenyl-N-[4-(trifluoromethyl)phenyl]-1H-indazol-3-amine is sourced from PubChem (CID 87956485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).