2-[2-[4-(N-(4-tert-butylphenyl)anilino)-6-[3-phenyl-4-(trifluoromethyl)-1H-pyrazol-5-yl]-2-pyridinyl]propan-2-yl]-6-(2-fluoro-3-pyridinyl)-N-(4-methylphenyl)-N-phenylpyridin-4-amine

C57H49F4N7 — CID 59372122

IUPAC2-[2-[4-(N-(4-tert-butylphenyl)anilino)-6-[3-phenyl-4-(trifluoromethyl)-1H-pyrazol-5-yl]-2-pyridinyl]propan-2-yl]-6-(2-fluoro-3-pyridinyl)-N-(4-methylphenyl)-N-phenylpyridin-4-amine
SMILESCc1ccc(N(c2ccccc2)c2cc(-c3cccnc3F)nc(C(C)(C)c3cc(N(c4ccccc4)c4ccc(C(C)(C)C)cc4)cc(-c4[nH]nc(-c5ccccc5)c4C(F)(F)F)n3)c2)cc1
InChIInChI=1S/C57H49F4N7/c1-37-24-28-42(29-25-37)67(40-19-12-8-13-20-40)44-33-47(46-23-16-32-62-54(46)58)63-49(35-44)56(5,6)50-36-45(68(41-21-14-9-15-22-41)43-30-26-39(27-31-43)55(2,3)4)34-48(64-50)53-51(57(59,60)61)52(65-66-53)38-17-10-7-11-18-38/h7-36H,1-6H3,(H,65,66)
InChIKeyYBLLBZXGWBUAQZ-UHFFFAOYSA-N
MW908.06 g/mol
LogP15.63
Rot. Bonds11

About 2-[2-[4-(N-(4-tert-butylphenyl)anilino)-6-[3-phenyl-4-(trifluoromethyl)-1H-pyrazol-5-yl]-2-pyridinyl]propan-2-yl]-6-(2-fluoro-3-pyridinyl)-N-(4-methylphenyl)-N-phenylpyridin-4-amine

2-[2-[4-(N-(4-tert-butylphenyl)anilino)-6-[3-phenyl-4-(trifluoromethyl)-1H-pyrazol-5-yl]-2-pyridinyl]propan-2-yl]-6-(2-fluoro-3-pyridinyl)-N-(4-methylphenyl)-N-phenylpyridin-4-amine (PubChem CID 59372122) has the molecular formula C57H49F4N7 and a molecular weight of 908.06 g/mol. Its IUPAC name is 2-[2-[4-(N-(4-tert-butylphenyl)anilino)-6-[3-phenyl-4-(trifluoromethyl)-1H-pyrazol-5-yl]-2-pyridinyl]propan-2-yl]-6-(2-fluoro-3-pyridinyl)-N-(4-methylphenyl)-N-phenylpyridin-4-amine.

Molecular Properties

Compound Name2-[2-[4-(N-(4-tert-butylphenyl)anilino)-6-[3-phenyl-4-(trifluoromethyl)-1H-pyrazol-5-yl]-2-pyridinyl]propan-2-yl]-6-(2-fluoro-3-pyridinyl)-N-(4-methylphenyl)-N-phenylpyridin-4-amine
PubChem CID59372122
Molecular FormulaC57H49F4N7
Molecular Weight908.06 g/mol
Exact Mass907.40
IUPAC Name2-[2-[4-(N-(4-tert-butylphenyl)anilino)-6-[3-phenyl-4-(trifluoromethyl)-1H-pyrazol-5-yl]-2-pyridinyl]propan-2-yl]-6-(2-fluoro-3-pyridinyl)-N-(4-methylphenyl)-N-phenylpyridin-4-amine
SMILESCc1ccc(N(c2ccccc2)c2cc(-c3cccnc3F)nc(C(C)(C)c3cc(N(c4ccccc4)c4ccc(C(C)(C)C)cc4)cc(-c4[nH]nc(-c5ccccc5)c4C(F)(F)F)n3)c2)cc1
InChIInChI=1S/C57H49F4N7/c1-37-24-28-42(29-25-37)67(40-19-12-8-13-20-40)44-33-47(46-23-16-32-62-54(46)58)63-49(35-44)56(5,6)50-36-45(68(41-21-14-9-15-22-41)43-30-26-39(27-31-43)55(2,3)4)34-48(64-50)53-51(57(59,60)61)52(65-66-53)38-17-10-7-11-18-38/h7-36H,1-6H3,(H,65,66)
InChIKeyYBLLBZXGWBUAQZ-UHFFFAOYSA-N
XLogP15.63
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500908.06
LogP ≤ 515.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-[2-[4-(N-(4-tert-butylphenyl)anilino)-6-[3-phenyl-4-(trifluoromethyl)-1H-pyrazol-5-yl]-2-pyridinyl]propan-2-yl]-6-(2-fluoro-3-pyridinyl)-N-(4-methylphenyl)-N-phenylpyridin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-fluorophenyl)-4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridine
CID 9858084
2-[4-methylphenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-yl pyridine
CID 9836405
2-[4-(trifluoromethyl)phenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
CID 9925372
1-(4-Fluorophenyl)-4a-[(4-fluorophenyl)methyl]-6-(pyridin-2-ylmethyl)-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinoline
CID 11561826
2-[3-(trifluoromethyl)phenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
CID 11588676
2-[2-fluorophenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
CID 11638261
2-[3-methylphenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
CID 11716589
4-(5-(1-methylpiperidin-4-yl)-3-(3-(trifluoromethyl)phenyl)-1H-pyrazol-4-yl)pyridine
CID 22037370
4-(3-(4-fluorophenyl)-5-(1-methylpiperidin-3-yl)-1H-pyrazol-4-yl)pyridine
CID 22037660
4-(5-(1-methylpiperidin-4-yl)-3-(4-(trifluoromethyl)phenyl)-1H-pyrazol-4-yl)pyridine
CID 22262560
4-(3-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl)pyridine
CID 22953832
N,N-dimethyl-3-(3-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-2-yl)phenyl)propan-1-amine
CID 45487458

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(N-(4-tert-butylphenyl)anilino)-6-[3-phenyl-4-(trifluoromethyl)-1H-pyrazol-5-yl]-2-pyridinyl]propan-2-yl]-6-(2-fluoro-3-pyridinyl)-N-(4-methylphenyl)-N-phenylpyridin-4-amine?
The IUPAC name of 2-[2-[4-(N-(4-tert-butylphenyl)anilino)-6-[3-phenyl-4-(trifluoromethyl)-1H-pyrazol-5-yl]-2-pyridinyl]propan-2-yl]-6-(2-fluoro-3-pyridinyl)-N-(4-methylphenyl)-N-phenylpyridin-4-amine (CID 59372122) is 2-[2-[4-(N-(4-tert-butylphenyl)anilino)-6-[3-phenyl-4-(trifluoromethyl)-1H-pyrazol-5-yl]-2-pyridinyl]propan-2-yl]-6-(2-fluoro-3-pyridinyl)-N-(4-methylphenyl)-N-phenylpyridin-4-amine.
What is the SMILES notation for 2-[2-[4-(N-(4-tert-butylphenyl)anilino)-6-[3-phenyl-4-(trifluoromethyl)-1H-pyrazol-5-yl]-2-pyridinyl]propan-2-yl]-6-(2-fluoro-3-pyridinyl)-N-(4-methylphenyl)-N-phenylpyridin-4-amine?
The canonical SMILES for 2-[2-[4-(N-(4-tert-butylphenyl)anilino)-6-[3-phenyl-4-(trifluoromethyl)-1H-pyrazol-5-yl]-2-pyridinyl]propan-2-yl]-6-(2-fluoro-3-pyridinyl)-N-(4-methylphenyl)-N-phenylpyridin-4-amine is Cc1ccc(N(c2ccccc2)c2cc(-c3cccnc3F)nc(C(C)(C)c3cc(N(c4ccccc4)c4ccc(C(C)(C)C)cc4)cc(-c4[nH]nc(-c5ccccc5)c4C(F)(F)F)n3)c2)cc1.
What is the InChIKey of 2-[2-[4-(N-(4-tert-butylphenyl)anilino)-6-[3-phenyl-4-(trifluoromethyl)-1H-pyrazol-5-yl]-2-pyridinyl]propan-2-yl]-6-(2-fluoro-3-pyridinyl)-N-(4-methylphenyl)-N-phenylpyridin-4-amine?
The InChIKey is YBLLBZXGWBUAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H49F4N7/c1-37-24-28-42(29-25-37)67(40-19-12-8-13-20-40)44-33-47(46-23-16-32-62-54(46)58)63-49(35-44)56(5,6)50-36-45(68(41-21-14-9-15-22-41)43-30-26-39(27-31-43)55(2,3)4)34-48(64-50)53-51(57(59,60)61)52(65-66-53)38-17-10-7-11-18-38/h7-36H,1-6H3,(H,65,66).
What are the key properties of 2-[2-[4-(N-(4-tert-butylphenyl)anilino)-6-[3-phenyl-4-(trifluoromethyl)-1H-pyrazol-5-yl]-2-pyridinyl]propan-2-yl]-6-(2-fluoro-3-pyridinyl)-N-(4-methylphenyl)-N-phenylpyridin-4-amine?
2-[2-[4-(N-(4-tert-butylphenyl)anilino)-6-[3-phenyl-4-(trifluoromethyl)-1H-pyrazol-5-yl]-2-pyridinyl]propan-2-yl]-6-(2-fluoro-3-pyridinyl)-N-(4-methylphenyl)-N-phenylpyridin-4-amine has a molecular weight of 908.06 g/mol, XLogP of 15.63, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(N-(4-tert-butylphenyl)anilino)-6-[3-phenyl-4-(trifluoromethyl)-1H-pyrazol-5-yl]-2-pyridinyl]propan-2-yl]-6-(2-fluoro-3-pyridinyl)-N-(4-methylphenyl)-N-phenylpyridin-4-amine is sourced from PubChem (CID 59372122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).