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-(6-phenylpyridazin-3-yl)acetamide

C50H38F3N7O2 — CID 91224964

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-(6-phenylpyridazin-3-yl)acetamide
SMILESCc1cc(-c2ccc(CC(=O)Nc3ccc(-c4ccccc4)nn3)cc2)cc(-c2cc(-c3ccc(CC(=O)Nc4ccc(-c5ccccc5)cn4)cc3C(F)(F)F)cc(C)n2)n1
InChIInChI=1S/C50H38F3N7O2/c1-31-23-39(36-16-13-33(14-17-36)26-48(61)58-47-22-20-43(59-60-47)37-11-7-4-8-12-37)28-44(55-31)45-29-40(24-32(2)56-45)41-19-15-34(25-42(41)50(51,52)53)27-49(62)57-46-21-18-38(30-54-46)35-9-5-3-6-10-35/h3-25,28-30H,26-27H2,1-2H3,(H,54,57,62)(H,58,60,61)
InChIKeyIYYLUPKFRFONHJ-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-(6-phenylpyridazin-3-yl)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-(6-phenylpyridazin-3-yl)acetamide (PubChem CID 91224964) 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-(6-phenylpyridazin-3-yl)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-(6-phenylpyridazin-3-yl)acetamide
PubChem CID91224964
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-(6-phenylpyridazin-3-yl)acetamide
SMILESCc1cc(-c2ccc(CC(=O)Nc3ccc(-c4ccccc4)nn3)cc2)cc(-c2cc(-c3ccc(CC(=O)Nc4ccc(-c5ccccc5)cn4)cc3C(F)(F)F)cc(C)n2)n1
InChIInChI=1S/C50H38F3N7O2/c1-31-23-39(36-16-13-33(14-17-36)26-48(61)58-47-22-20-43(59-60-47)37-11-7-4-8-12-37)28-44(55-31)45-29-40(24-32(2)56-45)41-19-15-34(25-42(41)50(51,52)53)27-49(62)57-46-21-18-38(30-54-46)35-9-5-3-6-10-35/h3-25,28-30H,26-27H2,1-2H3,(H,54,57,62)(H,58,60,61)
InChIKeyIYYLUPKFRFONHJ-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-(6-phenylpyridazin-3-yl)acetamide with MolForge

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Related Compounds

2-pyridin-2-yl-N-[6-[(1S,3R)-3-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide
CID 118396918
2-pyridin-2-yl-N-[6-[(1S,3S)-3-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide
CID 129135364
N-(5-(4-acetylpiperazin-1-yl)pyridin-2-yl)-2-(2-fluoro-5-methyl-4-(2-methylpyridin-4-yl)phenyl)acetamide
CID 46871751
N-(5-(3-fluorophenyl)pyridin-2-yl)-2-(5-methyl-6-(pyridazin-4-yl)pyridin-3-yl)acetamide
CID 46926893
US10251893, Cpd 210
CID 46927367
US10251893, Cpd 221
CID 46927368
N-(5-(4-acetylpiperazin-1-yl)pyridin-2-yl)-2-(4-(2-methylpyridin-4-yl)-3-(trifluoromethyl)phenyl)acetamide
CID 58447713
US10251893, Cpd 220
CID 58447719
US10251893, Cpd 81
CID 58447741
US10251893, Cpd 121
CID 58447758
US10251893, Cpd 79
CID 58447787
2-(4-(2-methylpyridin-4-yl)-3-(trifluoromethyl)phenyl)-N-(5-phenylpyridin-2-yl)acetamide
CID 58447817

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-(6-phenylpyridazin-3-yl)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-(6-phenylpyridazin-3-yl)acetamide (CID 91224964) 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-(6-phenylpyridazin-3-yl)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-(6-phenylpyridazin-3-yl)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-(6-phenylpyridazin-3-yl)acetamide is Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4ccccc4)nn3)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-(6-phenylpyridazin-3-yl)acetamide?
The InChIKey is IYYLUPKFRFONHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H38F3N7O2/c1-31-23-39(36-16-13-33(14-17-36)26-48(61)58-47-22-20-43(59-60-47)37-11-7-4-8-12-37)28-44(55-31)45-29-40(24-32(2)56-45)41-19-15-34(25-42(41)50(51,52)53)27-49(62)57-46-21-18-38(30-54-46)35-9-5-3-6-10-35/h3-25,28-30H,26-27H2,1-2H3,(H,54,57,62)(H,58,60,61).
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-(6-phenylpyridazin-3-yl)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-(6-phenylpyridazin-3-yl)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-(6-phenylpyridazin-3-yl)acetamide is sourced from PubChem (CID 91224964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).