5-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-2-fluoro-4-methyl-N-[2-[1-[(3R)-1-methylpyrrolidin-3-yl]ethyl]-5-(trifluoromethyl)phenyl]benzamide;5-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-2-fluoro-4-methyl-N-[2-[1-[(3S)-1-methylpyrrolidin-3-yl]ethyl]-5-(trifluoromethyl)phenyl]benzamide

C64H64F8N12O4 — CID 159717508

IUPAC5-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-2-fluoro-4-methyl-N-[2-[1-[(3R)-1-methylpyrrolidin-3-yl]ethyl]-5-(trifluoromethyl)phenyl]benzamide;5-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-2-fluoro-4-methyl-N-[2-[1-[(3S)-1-methylpyrrolidin-3-yl]ethyl]-5-(trifluoromethyl)phenyl]benzamide
SMILESCCc1ncnc(-c2cccnc2Oc2cc(C(=O)Nc3cc(C(F)(F)F)ccc3C(C)[C@@H]3CCN(C)C3)c(F)cc2C)n1.CCc1ncnc(-c2cccnc2Oc2cc(C(=O)Nc3cc(C(F)(F)F)ccc3C(C)[C@H]3CCN(C)C3)c(F)cc2C)n1
InChIInChI=1S/2C32H32F4N6O2/c2*1-5-28-38-17-39-29(41-28)23-7-6-11-37-31(23)44-27-15-24(25(33)13-18(27)2)30(43)40-26-14-21(32(34,35)36)8-9-22(26)19(3)20-10-12-42(4)16-20/h2*6-9,11,13-15,17,19-20H,5,10,12,16H2,1-4H3,(H,40,43)/t2*19?,20-/m10/s1
InChIKeyMZPQKSZOUYGXEM-FKOVBBSGSA-N
MW1217.28 g/mol
LogP14.12
Rot. Bonds16

About 5-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-2-fluoro-4-methyl-N-[2-[1-[(3R)-1-methylpyrrolidin-3-yl]ethyl]-5-(trifluoromethyl)phenyl]benzamide;5-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-2-fluoro-4-methyl-N-[2-[1-[(3S)-1-methylpyrrolidin-3-yl]ethyl]-5-(trifluoromethyl)phenyl]benzamide

5-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-2-fluoro-4-methyl-N-[2-[1-[(3R)-1-methylpyrrolidin-3-yl]ethyl]-5-(trifluoromethyl)phenyl]benzamide;5-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-2-fluoro-4-methyl-N-[2-[1-[(3S)-1-methylpyrrolidin-3-yl]ethyl]-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 159717508) has the molecular formula C64H64F8N12O4 and a molecular weight of 1217.28 g/mol. Its IUPAC name is 5-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-2-fluoro-4-methyl-N-[2-[1-[(3R)-1-methylpyrrolidin-3-yl]ethyl]-5-(trifluoromethyl)phenyl]benzamide;5-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-2-fluoro-4-methyl-N-[2-[1-[(3S)-1-methylpyrrolidin-3-yl]ethyl]-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name5-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-2-fluoro-4-methyl-N-[2-[1-[(3R)-1-methylpyrrolidin-3-yl]ethyl]-5-(trifluoromethyl)phenyl]benzamide;5-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-2-fluoro-4-methyl-N-[2-[1-[(3S)-1-methylpyrrolidin-3-yl]ethyl]-5-(trifluoromethyl)phenyl]benzamide
PubChem CID159717508
Molecular FormulaC64H64F8N12O4
Molecular Weight1217.28 g/mol
Exact Mass1216.50
IUPAC Name5-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-2-fluoro-4-methyl-N-[2-[1-[(3R)-1-methylpyrrolidin-3-yl]ethyl]-5-(trifluoromethyl)phenyl]benzamide;5-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-2-fluoro-4-methyl-N-[2-[1-[(3S)-1-methylpyrrolidin-3-yl]ethyl]-5-(trifluoromethyl)phenyl]benzamide
SMILESCCc1ncnc(-c2cccnc2Oc2cc(C(=O)Nc3cc(C(F)(F)F)ccc3C(C)[C@@H]3CCN(C)C3)c(F)cc2C)n1.CCc1ncnc(-c2cccnc2Oc2cc(C(=O)Nc3cc(C(F)(F)F)ccc3C(C)[C@H]3CCN(C)C3)c(F)cc2C)n1
InChIInChI=1S/2C32H32F4N6O2/c2*1-5-28-38-17-39-29(41-28)23-7-6-11-37-31(23)44-27-15-24(25(33)13-18(27)2)30(43)40-26-14-21(32(34,35)36)8-9-22(26)19(3)20-10-12-42(4)16-20/h2*6-9,11,13-15,17,19-20H,5,10,12,16H2,1-4H3,(H,40,43)/t2*19?,20-/m10/s1
InChIKeyMZPQKSZOUYGXEM-FKOVBBSGSA-N
XLogP14.12
TPSA186.26 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001217.28
LogP ≤ 514.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 5-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-2-fluoro-4-methyl-N-[2-[1-[(3R)-1-methylpyrrolidin-3-yl]ethyl]-5-(trifluoromethyl)phenyl]benzamide;5-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-2-fluoro-4-methyl-N-[2-[1-[(3S)-1-methylpyrrolidin-3-yl]ethyl]-5-(trifluoromethyl)phenyl]benzamide 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

N-(5-cyclohexyl-2-methoxyphenyl)-4-methyl-3-(3-(4-(methylamino)-1,3,5-triazin-2-yl)pyridin-2-yloxy)benzamide
CID 16108981
4-methyl-3-(3-(pyrimidin-4-yl)pyridin-2-yloxy)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16108986
4-methyl-3-(3-(4-(methylamino)-1,3,5-triazin-2-yl)pyridin-2-yloxy)-N-(2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl)benzamide
CID 16108998
N-(2-((3-(dimethylamino)propyl)(methyl)amino)-5-(trifluoromethyl)phenyl)-4-methyl-3-(3-(4-(methylamino)-1,3,5-triazin-2-yl)pyridin-2-yloxy)benzamide
CID 16108999
2-fluoro-5-(3-(4-(methylamino)-1,3,5-triazin-2-yl)pyridin-2-yloxy)-N-(2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl)benzamide
CID 16109000
N-(2-((3-(Dimethylamino)propyl)(methyl)amino)-5-isopropylphenyl)2-fluoro-5-(3-(4-(methylamino)-1,3,5-triazin-2-yl)pyridin-2-yloxy)benzamide
CID 16109002
N-(5-cyclopropyl-2-((3-(dimethylamino)propyl)(methyl)amino)phenyl)-2-fluoro-5-(3-(4-(methylamino)-1,3,5-triazin-2-yl)pyridin-2-yloxy)benzamide
CID 16109003
2-(Methylamino)triazine 59
CID 23646935
N-(3-isopropylphenyl)-4-methyl-3-(3-(4-(methylamino)-1,3,5-triazin-2-yl)pyridin-2-yloxy)benzamide
CID 44440292
4-methyl-3-[[5-methyl-3-[4-(methylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]oxy]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 44418994
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-3-phenoxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 162675390
[3-[[3-(4-Ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-4-fluorophenyl]-[6-(trifluoromethyl)-2,3-dihydroindol-1-yl]methanone
CID 58396157

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-2-fluoro-4-methyl-N-[2-[1-[(3R)-1-methylpyrrolidin-3-yl]ethyl]-5-(trifluoromethyl)phenyl]benzamide;5-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-2-fluoro-4-methyl-N-[2-[1-[(3S)-1-methylpyrrolidin-3-yl]ethyl]-5-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 5-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-2-fluoro-4-methyl-N-[2-[1-[(3R)-1-methylpyrrolidin-3-yl]ethyl]-5-(trifluoromethyl)phenyl]benzamide;5-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-2-fluoro-4-methyl-N-[2-[1-[(3S)-1-methylpyrrolidin-3-yl]ethyl]-5-(trifluoromethyl)phenyl]benzamide (CID 159717508) is 5-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-2-fluoro-4-methyl-N-[2-[1-[(3R)-1-methylpyrrolidin-3-yl]ethyl]-5-(trifluoromethyl)phenyl]benzamide;5-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-2-fluoro-4-methyl-N-[2-[1-[(3S)-1-methylpyrrolidin-3-yl]ethyl]-5-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 5-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-2-fluoro-4-methyl-N-[2-[1-[(3R)-1-methylpyrrolidin-3-yl]ethyl]-5-(trifluoromethyl)phenyl]benzamide;5-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-2-fluoro-4-methyl-N-[2-[1-[(3S)-1-methylpyrrolidin-3-yl]ethyl]-5-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 5-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-2-fluoro-4-methyl-N-[2-[1-[(3R)-1-methylpyrrolidin-3-yl]ethyl]-5-(trifluoromethyl)phenyl]benzamide;5-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-2-fluoro-4-methyl-N-[2-[1-[(3S)-1-methylpyrrolidin-3-yl]ethyl]-5-(trifluoromethyl)phenyl]benzamide is CCc1ncnc(-c2cccnc2Oc2cc(C(=O)Nc3cc(C(F)(F)F)ccc3C(C)[C@@H]3CCN(C)C3)c(F)cc2C)n1.CCc1ncnc(-c2cccnc2Oc2cc(C(=O)Nc3cc(C(F)(F)F)ccc3C(C)[C@H]3CCN(C)C3)c(F)cc2C)n1.
What is the InChIKey of 5-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-2-fluoro-4-methyl-N-[2-[1-[(3R)-1-methylpyrrolidin-3-yl]ethyl]-5-(trifluoromethyl)phenyl]benzamide;5-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-2-fluoro-4-methyl-N-[2-[1-[(3S)-1-methylpyrrolidin-3-yl]ethyl]-5-(trifluoromethyl)phenyl]benzamide?
The InChIKey is MZPQKSZOUYGXEM-FKOVBBSGSA-N. The full InChI is InChI=1S/2C32H32F4N6O2/c2*1-5-28-38-17-39-29(41-28)23-7-6-11-37-31(23)44-27-15-24(25(33)13-18(27)2)30(43)40-26-14-21(32(34,35)36)8-9-22(26)19(3)20-10-12-42(4)16-20/h2*6-9,11,13-15,17,19-20H,5,10,12,16H2,1-4H3,(H,40,43)/t2*19?,20-/m10/s1.
What are the key properties of 5-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-2-fluoro-4-methyl-N-[2-[1-[(3R)-1-methylpyrrolidin-3-yl]ethyl]-5-(trifluoromethyl)phenyl]benzamide;5-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-2-fluoro-4-methyl-N-[2-[1-[(3S)-1-methylpyrrolidin-3-yl]ethyl]-5-(trifluoromethyl)phenyl]benzamide?
5-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-2-fluoro-4-methyl-N-[2-[1-[(3R)-1-methylpyrrolidin-3-yl]ethyl]-5-(trifluoromethyl)phenyl]benzamide;5-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-2-fluoro-4-methyl-N-[2-[1-[(3S)-1-methylpyrrolidin-3-yl]ethyl]-5-(trifluoromethyl)phenyl]benzamide has a molecular weight of 1217.28 g/mol, XLogP of 14.12, 16 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-2-fluoro-4-methyl-N-[2-[1-[(3R)-1-methylpyrrolidin-3-yl]ethyl]-5-(trifluoromethyl)phenyl]benzamide;5-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-2-fluoro-4-methyl-N-[2-[1-[(3S)-1-methylpyrrolidin-3-yl]ethyl]-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 159717508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).