5-fluoro-N-[2-phenyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine

C25H16F4N4 — CID 10114670

IUPAC5-fluoro-N-[2-phenyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine
SMILESFc1ccc2[nH]nc(Nc3cc(-c4ccccc4)nc(-c4ccccc4C(F)(F)F)c3)c2c1
InChIInChI=1S/C25H16F4N4/c26-16-10-11-21-19(12-16)24(33-32-21)30-17-13-22(15-6-2-1-3-7-15)31-23(14-17)18-8-4-5-9-20(18)25(27,28)29/h1-14H,(H2,30,31,32,33)
InChIKeyAULCYPIOZGYRHK-UHFFFAOYSA-N
MW448.42 g/mol
LogP7.19
Rot. Bonds4

About 5-fluoro-N-[2-phenyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine

5-fluoro-N-[2-phenyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine (PubChem CID 10114670) has the molecular formula C25H16F4N4 and a molecular weight of 448.42 g/mol. Its IUPAC name is 5-fluoro-N-[2-phenyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine.

Molecular Properties

Compound Name5-fluoro-N-[2-phenyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine
PubChem CID10114670
Molecular FormulaC25H16F4N4
Molecular Weight448.42 g/mol
Exact Mass448.13
IUPAC Name5-fluoro-N-[2-phenyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine
SMILESFc1ccc2[nH]nc(Nc3cc(-c4ccccc4)nc(-c4ccccc4C(F)(F)F)c3)c2c1
InChIInChI=1S/C25H16F4N4/c26-16-10-11-21-19(12-16)24(33-32-21)30-17-13-22(15-6-2-1-3-7-15)31-23(14-17)18-8-4-5-9-20(18)25(27,28)29/h1-14H,(H2,30,31,32,33)
InChIKeyAULCYPIOZGYRHK-UHFFFAOYSA-N
XLogP7.19
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.42
LogP ≤ 57.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[2-phenyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine?
The IUPAC name of 5-fluoro-N-[2-phenyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine (CID 10114670) is 5-fluoro-N-[2-phenyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine.
What is the SMILES notation for 5-fluoro-N-[2-phenyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine?
The canonical SMILES for 5-fluoro-N-[2-phenyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine is Fc1ccc2[nH]nc(Nc3cc(-c4ccccc4)nc(-c4ccccc4C(F)(F)F)c3)c2c1.
What is the InChIKey of 5-fluoro-N-[2-phenyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine?
The InChIKey is AULCYPIOZGYRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F4N4/c26-16-10-11-21-19(12-16)24(33-32-21)30-17-13-22(15-6-2-1-3-7-15)31-23(14-17)18-8-4-5-9-20(18)25(27,28)29/h1-14H,(H2,30,31,32,33).
What are the key properties of 5-fluoro-N-[2-phenyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine?
5-fluoro-N-[2-phenyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine has a molecular weight of 448.42 g/mol, XLogP of 7.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[2-phenyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine is sourced from PubChem (CID 10114670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).