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

C25H17F3N4V — CID 158208179

IUPACN-[2-phenyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine;vanadium
SMILESFC(F)(F)c1ccccc1-c1cc(Nc2n[nH]c3ccccc23)cc(-c2ccccc2)n1.[V]
InChIInChI=1S/C25H17F3N4.V/c26-25(27,28)20-12-6-4-10-18(20)23-15-17(14-22(30-23)16-8-2-1-3-9-16)29-24-19-11-5-7-13-21(19)31-32-24;/h1-15H,(H2,29,30,31,32);
InChIKeyJFKDGULXKQLOHS-UHFFFAOYSA-N
MW481.38 g/mol
LogP7.05
Rot. Bonds4

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

N-[2-phenyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine;vanadium (PubChem CID 158208179) has the molecular formula C25H17F3N4V and a molecular weight of 481.38 g/mol. Its IUPAC name is N-[2-phenyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine;vanadium.

Molecular Properties

Compound NameN-[2-phenyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine;vanadium
PubChem CID158208179
Molecular FormulaC25H17F3N4V
Molecular Weight481.38 g/mol
Exact Mass481.08
IUPAC NameN-[2-phenyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine;vanadium
SMILESFC(F)(F)c1ccccc1-c1cc(Nc2n[nH]c3ccccc23)cc(-c2ccccc2)n1.[V]
InChIInChI=1S/C25H17F3N4.V/c26-25(27,28)20-12-6-4-10-18(20)23-15-17(14-22(30-23)16-8-2-1-3-9-16)29-24-19-11-5-7-13-21(19)31-32-24;/h1-15H,(H2,29,30,31,32);
InChIKeyJFKDGULXKQLOHS-UHFFFAOYSA-N
XLogP7.05
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.38
LogP ≤ 57.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-amine;vanadium
CID 159535152
N-[4-cyclohexyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine
CID 10181551
N-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]-5,6-dihydroisoquinolin-1-amine
CID 142127893
N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pteridin-4-amine
CID 20626371
N-[6-pyridin-2-yl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine
CID 10137656
N-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 10222301
N-[6-(1-methylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine
CID 20626488
N-[5-(1H-imidazol-2-yl)-4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine
CID 10159166
N-[4-(trifluoromethyl)-1H-indazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 10116278
actinium;N-[6-piperidin-1-id-4-yl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine
CID 20626308
N-[6-(2-aminoethoxy)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]-1H-indazol-3-amine
CID 10158765
4-N-(2-aminoethyl)-2-N-(1H-indazol-3-yl)-6-(2-methylphenyl)pyridine-2,4-diamine
CID 66804771

Frequently Asked Questions

What is the IUPAC name of N-[2-phenyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine;vanadium?
The IUPAC name of N-[2-phenyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine;vanadium (CID 158208179) is N-[2-phenyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine;vanadium.
What is the SMILES notation for N-[2-phenyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine;vanadium?
The canonical SMILES for N-[2-phenyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine;vanadium is FC(F)(F)c1ccccc1-c1cc(Nc2n[nH]c3ccccc23)cc(-c2ccccc2)n1.[V].
What is the InChIKey of N-[2-phenyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine;vanadium?
The InChIKey is JFKDGULXKQLOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F3N4.V/c26-25(27,28)20-12-6-4-10-18(20)23-15-17(14-22(30-23)16-8-2-1-3-9-16)29-24-19-11-5-7-13-21(19)31-32-24;/h1-15H,(H2,29,30,31,32);.
What are the key properties of N-[2-phenyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine;vanadium?
N-[2-phenyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine;vanadium has a molecular weight of 481.38 g/mol, XLogP of 7.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-phenyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine;vanadium is sourced from PubChem (CID 158208179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).