6-(2,4-difluorophenyl)-N-[6-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]-N-phenylpyridin-2-amine

C26H19F2N5 — CID 58661075

IUPAC6-(2,4-difluorophenyl)-N-[6-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]-N-phenylpyridin-2-amine
SMILESCc1cc(-c2cccc(N(c3ccccc3)c3cccc(-c4ccc(F)cc4F)n3)n2)n[nH]1
InChIInChI=1S/C26H19F2N5/c1-17-15-24(32-31-17)23-10-6-12-26(30-23)33(19-7-3-2-4-8-19)25-11-5-9-22(29-25)20-14-13-18(27)16-21(20)28/h2-16H,1H3,(H,31,32)
InChIKeyQPMCTYWQABAMGT-UHFFFAOYSA-N
MW439.47 g/mol
LogP6.59
Rot. Bonds5

About 6-(2,4-difluorophenyl)-N-[6-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]-N-phenylpyridin-2-amine

6-(2,4-difluorophenyl)-N-[6-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]-N-phenylpyridin-2-amine (PubChem CID 58661075) has the molecular formula C26H19F2N5 and a molecular weight of 439.47 g/mol. Its IUPAC name is 6-(2,4-difluorophenyl)-N-[6-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]-N-phenylpyridin-2-amine.

Molecular Properties

Compound Name6-(2,4-difluorophenyl)-N-[6-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]-N-phenylpyridin-2-amine
PubChem CID58661075
Molecular FormulaC26H19F2N5
Molecular Weight439.47 g/mol
Exact Mass439.16
IUPAC Name6-(2,4-difluorophenyl)-N-[6-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]-N-phenylpyridin-2-amine
SMILESCc1cc(-c2cccc(N(c3ccccc3)c3cccc(-c4ccc(F)cc4F)n3)n2)n[nH]1
InChIInChI=1S/C26H19F2N5/c1-17-15-24(32-31-17)23-10-6-12-26(30-23)33(19-7-3-2-4-8-19)25-11-5-9-22(29-25)20-14-13-18(27)16-21(20)28/h2-16H,1H3,(H,31,32)
InChIKeyQPMCTYWQABAMGT-UHFFFAOYSA-N
XLogP6.59
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.47
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorophenyl)-N-[6-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]-N-phenylpyridin-2-amine?
The IUPAC name of 6-(2,4-difluorophenyl)-N-[6-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]-N-phenylpyridin-2-amine (CID 58661075) is 6-(2,4-difluorophenyl)-N-[6-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]-N-phenylpyridin-2-amine.
What is the SMILES notation for 6-(2,4-difluorophenyl)-N-[6-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]-N-phenylpyridin-2-amine?
The canonical SMILES for 6-(2,4-difluorophenyl)-N-[6-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]-N-phenylpyridin-2-amine is Cc1cc(-c2cccc(N(c3ccccc3)c3cccc(-c4ccc(F)cc4F)n3)n2)n[nH]1.
What is the InChIKey of 6-(2,4-difluorophenyl)-N-[6-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]-N-phenylpyridin-2-amine?
The InChIKey is QPMCTYWQABAMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F2N5/c1-17-15-24(32-31-17)23-10-6-12-26(30-23)33(19-7-3-2-4-8-19)25-11-5-9-22(29-25)20-14-13-18(27)16-21(20)28/h2-16H,1H3,(H,31,32).
What are the key properties of 6-(2,4-difluorophenyl)-N-[6-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]-N-phenylpyridin-2-amine?
6-(2,4-difluorophenyl)-N-[6-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]-N-phenylpyridin-2-amine has a molecular weight of 439.47 g/mol, XLogP of 6.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenyl)-N-[6-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]-N-phenylpyridin-2-amine is sourced from PubChem (CID 58661075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).