2-[4-[2-methyl-6-[6-methyl-4-[4-[2-oxo-2-[(5-phenyl-2-pyridinyl)amino]ethyl]-2-(trifluoromethyl)phenyl]-2-pyridinyl]-4-pyridinyl]phenyl]-N-(5-pyridin-3-yl-2-pyridinyl)acetamide

C50H38F3N7O2 — CID 91473356

IUPAC2-[4-[2-methyl-6-[6-methyl-4-[4-[2-oxo-2-[(5-phenyl-2-pyridinyl)amino]ethyl]-2-(trifluoromethyl)phenyl]-2-pyridinyl]-4-pyridinyl]phenyl]-N-(5-pyridin-3-yl-2-pyridinyl)acetamide
SMILESCc1cc(-c2ccc(CC(=O)Nc3ccc(-c4cccnc4)cn3)cc2)cc(-c2cc(-c3ccc(CC(=O)Nc4ccc(-c5ccccc5)cn4)cc3C(F)(F)F)cc(C)n2)n1
InChIInChI=1S/C50H38F3N7O2/c1-31-21-40(36-13-10-33(11-14-36)24-48(61)59-47-19-16-39(30-56-47)37-9-6-20-54-28-37)26-44(57-31)45-27-41(22-32(2)58-45)42-17-12-34(23-43(42)50(51,52)53)25-49(62)60-46-18-15-38(29-55-46)35-7-4-3-5-8-35/h3-23,26-30H,24-25H2,1-2H3,(H,55,60,62)(H,56,59,61)
InChIKeyBIKIHNRMTOJWEL-UHFFFAOYSA-N
MW825.90 g/mol
LogP10.99
Rot. Bonds11

About 2-[4-[2-methyl-6-[6-methyl-4-[4-[2-oxo-2-[(5-phenyl-2-pyridinyl)amino]ethyl]-2-(trifluoromethyl)phenyl]-2-pyridinyl]-4-pyridinyl]phenyl]-N-(5-pyridin-3-yl-2-pyridinyl)acetamide

2-[4-[2-methyl-6-[6-methyl-4-[4-[2-oxo-2-[(5-phenyl-2-pyridinyl)amino]ethyl]-2-(trifluoromethyl)phenyl]-2-pyridinyl]-4-pyridinyl]phenyl]-N-(5-pyridin-3-yl-2-pyridinyl)acetamide (PubChem CID 91473356) has the molecular formula C50H38F3N7O2 and a molecular weight of 825.90 g/mol. Its IUPAC name is 2-[4-[2-methyl-6-[6-methyl-4-[4-[2-oxo-2-[(5-phenyl-2-pyridinyl)amino]ethyl]-2-(trifluoromethyl)phenyl]-2-pyridinyl]-4-pyridinyl]phenyl]-N-(5-pyridin-3-yl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-methyl-6-[6-methyl-4-[4-[2-oxo-2-[(5-phenyl-2-pyridinyl)amino]ethyl]-2-(trifluoromethyl)phenyl]-2-pyridinyl]-4-pyridinyl]phenyl]-N-(5-pyridin-3-yl-2-pyridinyl)acetamide
PubChem CID91473356
Molecular FormulaC50H38F3N7O2
Molecular Weight825.90 g/mol
Exact Mass825.30
IUPAC Name2-[4-[2-methyl-6-[6-methyl-4-[4-[2-oxo-2-[(5-phenyl-2-pyridinyl)amino]ethyl]-2-(trifluoromethyl)phenyl]-2-pyridinyl]-4-pyridinyl]phenyl]-N-(5-pyridin-3-yl-2-pyridinyl)acetamide
SMILESCc1cc(-c2ccc(CC(=O)Nc3ccc(-c4cccnc4)cn3)cc2)cc(-c2cc(-c3ccc(CC(=O)Nc4ccc(-c5ccccc5)cn4)cc3C(F)(F)F)cc(C)n2)n1
InChIInChI=1S/C50H38F3N7O2/c1-31-21-40(36-13-10-33(11-14-36)24-48(61)59-47-19-16-39(30-56-47)37-9-6-20-54-28-37)26-44(57-31)45-27-41(22-32(2)58-45)42-17-12-34(23-43(42)50(51,52)53)25-49(62)60-46-18-15-38(29-55-46)35-7-4-3-5-8-35/h3-23,26-30H,24-25H2,1-2H3,(H,55,60,62)(H,56,59,61)
InChIKeyBIKIHNRMTOJWEL-UHFFFAOYSA-N
XLogP10.99
TPSA122.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500825.90
LogP ≤ 510.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-[2-methyl-6-[6-methyl-4-[4-[2-oxo-2-[(5-phenyl-2-pyridinyl)amino]ethyl]-2-(trifluoromethyl)phenyl]-2-pyridinyl]-4-pyridinyl]phenyl]-N-(5-pyridin-3-yl-2-pyridinyl)acetamide with MolForge

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Launch Full Analysis

Related Compounds

Wnt-974
CID 46926973
Flumatinib
CID 46848036
Gnf6231
CID 46927297
US10251893, Cpd 51
CID 46926891
N-[2,3'-Bipyridin]-6'-yl-2',3-dimethyl[2,4'-bipyridine]-5-acetamide
CID 46927131
US10251893, Cpd 126
CID 46927132
US10251893, Cpd 128
CID 46927133
N-(5-(4-Acetylpiperazin-1-yl)pyridin-2-yl)-2-(2',3-dimethyl-[2,4'-bipyridin]-5-yl)acetamide
CID 46927217
2'-Fluoro-3-methyl-N-[5-(2-pyrazinyl)-2-pyridinyl][2,4'-bipyridine]-5-acetamide
CID 46927364
2-(4-(2-methylpyridin-4-yl)phenyl)-N-(5-phenylpyridin-2-yl)acetamide
CID 46927726
3-[2-(6-acetamido-3-pyridinyl)ethynyl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 46911110
2-[5-methyl-6-(6-methyl-3-pyridinyl)-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 121237481

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-methyl-6-[6-methyl-4-[4-[2-oxo-2-[(5-phenyl-2-pyridinyl)amino]ethyl]-2-(trifluoromethyl)phenyl]-2-pyridinyl]-4-pyridinyl]phenyl]-N-(5-pyridin-3-yl-2-pyridinyl)acetamide?
The IUPAC name of 2-[4-[2-methyl-6-[6-methyl-4-[4-[2-oxo-2-[(5-phenyl-2-pyridinyl)amino]ethyl]-2-(trifluoromethyl)phenyl]-2-pyridinyl]-4-pyridinyl]phenyl]-N-(5-pyridin-3-yl-2-pyridinyl)acetamide (CID 91473356) is 2-[4-[2-methyl-6-[6-methyl-4-[4-[2-oxo-2-[(5-phenyl-2-pyridinyl)amino]ethyl]-2-(trifluoromethyl)phenyl]-2-pyridinyl]-4-pyridinyl]phenyl]-N-(5-pyridin-3-yl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[4-[2-methyl-6-[6-methyl-4-[4-[2-oxo-2-[(5-phenyl-2-pyridinyl)amino]ethyl]-2-(trifluoromethyl)phenyl]-2-pyridinyl]-4-pyridinyl]phenyl]-N-(5-pyridin-3-yl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[4-[2-methyl-6-[6-methyl-4-[4-[2-oxo-2-[(5-phenyl-2-pyridinyl)amino]ethyl]-2-(trifluoromethyl)phenyl]-2-pyridinyl]-4-pyridinyl]phenyl]-N-(5-pyridin-3-yl-2-pyridinyl)acetamide is Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4cccnc4)cn3)cc2)cc(-c2cc(-c3ccc(CC(=O)Nc4ccc(-c5ccccc5)cn4)cc3C(F)(F)F)cc(C)n2)n1.
What is the InChIKey of 2-[4-[2-methyl-6-[6-methyl-4-[4-[2-oxo-2-[(5-phenyl-2-pyridinyl)amino]ethyl]-2-(trifluoromethyl)phenyl]-2-pyridinyl]-4-pyridinyl]phenyl]-N-(5-pyridin-3-yl-2-pyridinyl)acetamide?
The InChIKey is BIKIHNRMTOJWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H38F3N7O2/c1-31-21-40(36-13-10-33(11-14-36)24-48(61)59-47-19-16-39(30-56-47)37-9-6-20-54-28-37)26-44(57-31)45-27-41(22-32(2)58-45)42-17-12-34(23-43(42)50(51,52)53)25-49(62)60-46-18-15-38(29-55-46)35-7-4-3-5-8-35/h3-23,26-30H,24-25H2,1-2H3,(H,55,60,62)(H,56,59,61).
What are the key properties of 2-[4-[2-methyl-6-[6-methyl-4-[4-[2-oxo-2-[(5-phenyl-2-pyridinyl)amino]ethyl]-2-(trifluoromethyl)phenyl]-2-pyridinyl]-4-pyridinyl]phenyl]-N-(5-pyridin-3-yl-2-pyridinyl)acetamide?
2-[4-[2-methyl-6-[6-methyl-4-[4-[2-oxo-2-[(5-phenyl-2-pyridinyl)amino]ethyl]-2-(trifluoromethyl)phenyl]-2-pyridinyl]-4-pyridinyl]phenyl]-N-(5-pyridin-3-yl-2-pyridinyl)acetamide has a molecular weight of 825.90 g/mol, XLogP of 10.99, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-methyl-6-[6-methyl-4-[4-[2-oxo-2-[(5-phenyl-2-pyridinyl)amino]ethyl]-2-(trifluoromethyl)phenyl]-2-pyridinyl]-4-pyridinyl]phenyl]-N-(5-pyridin-3-yl-2-pyridinyl)acetamide is sourced from PubChem (CID 91473356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).