N-[4-methyl-3-[2-[2-[(2S)-4-[4-[4-[2-methyl-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]-6-[[(2S)-pyrrolidin-2-yl]methoxy]-2-pyridinyl]morpholin-3-yl]pyrrolidin-2-yl]ethoxy]-6-morpholin-4-yl-4-pyridinyl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide

C57H60F6N10O6 — CID 130425780

IUPACN-[4-methyl-3-[2-[2-[(2S)-4-[4-[4-[2-methyl-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]-6-[[(2S)-pyrrolidin-2-yl]methoxy]-2-pyridinyl]morpholin-3-yl]pyrrolidin-2-yl]ethoxy]-6-morpholin-4-yl-4-pyridinyl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cncc(C(F)(F)F)c2)cc1-c1cc(OC[C@@H]2CCCN2)nc(N2CCOCC2C2CN[C@H](CCOc3cc(-c4cc(NC(=O)c5cc(C(F)(F)F)ccn5)ccc4C)cc(N4CCOCC4)n3)C2)c1
InChIInChI=1S/C57H60F6N10O6/c1-34-6-8-44(69-55(75)48-26-40(9-12-66-48)56(58,59)60)28-46(34)36-22-50(72-13-17-76-18-14-72)70-52(24-36)78-16-10-42-21-38(30-67-42)49-33-77-19-15-73(49)51-23-37(25-53(71-51)79-32-45-4-3-11-65-45)47-27-43(7-5-35(47)2)68-54(74)39-20-41(31-64-29-39)57(61,62)63/h5-9,12,20,22-29,31,38,42,45,49,65,67H,3-4,10-11,13-19,21,30,32-33H2,1-2H3,(H,68,74)(H,69,75)/t38?,42-,45+,49?/m1/s1
InChIKeyNHNDQQFVRVOZNK-HALHWVQKSA-N
MW1095.16 g/mol
LogP9.38
Rot. Bonds16

About N-[4-methyl-3-[2-[2-[(2S)-4-[4-[4-[2-methyl-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]-6-[[(2S)-pyrrolidin-2-yl]methoxy]-2-pyridinyl]morpholin-3-yl]pyrrolidin-2-yl]ethoxy]-6-morpholin-4-yl-4-pyridinyl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide

N-[4-methyl-3-[2-[2-[(2S)-4-[4-[4-[2-methyl-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]-6-[[(2S)-pyrrolidin-2-yl]methoxy]-2-pyridinyl]morpholin-3-yl]pyrrolidin-2-yl]ethoxy]-6-morpholin-4-yl-4-pyridinyl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 130425780) has the molecular formula C57H60F6N10O6 and a molecular weight of 1095.16 g/mol. Its IUPAC name is N-[4-methyl-3-[2-[2-[(2S)-4-[4-[4-[2-methyl-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]-6-[[(2S)-pyrrolidin-2-yl]methoxy]-2-pyridinyl]morpholin-3-yl]pyrrolidin-2-yl]ethoxy]-6-morpholin-4-yl-4-pyridinyl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-[2-[2-[(2S)-4-[4-[4-[2-methyl-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]-6-[[(2S)-pyrrolidin-2-yl]methoxy]-2-pyridinyl]morpholin-3-yl]pyrrolidin-2-yl]ethoxy]-6-morpholin-4-yl-4-pyridinyl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID130425780
Molecular FormulaC57H60F6N10O6
Molecular Weight1095.16 g/mol
Exact Mass1094.46
IUPAC NameN-[4-methyl-3-[2-[2-[(2S)-4-[4-[4-[2-methyl-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]-6-[[(2S)-pyrrolidin-2-yl]methoxy]-2-pyridinyl]morpholin-3-yl]pyrrolidin-2-yl]ethoxy]-6-morpholin-4-yl-4-pyridinyl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cncc(C(F)(F)F)c2)cc1-c1cc(OC[C@@H]2CCCN2)nc(N2CCOCC2C2CN[C@H](CCOc3cc(-c4cc(NC(=O)c5cc(C(F)(F)F)ccn5)ccc4C)cc(N4CCOCC4)n3)C2)c1
InChIInChI=1S/C57H60F6N10O6/c1-34-6-8-44(69-55(75)48-26-40(9-12-66-48)56(58,59)60)28-46(34)36-22-50(72-13-17-76-18-14-72)70-52(24-36)78-16-10-42-21-38(30-67-42)49-33-77-19-15-73(49)51-23-37(25-53(71-51)79-32-45-4-3-11-65-45)47-27-43(7-5-35(47)2)68-54(74)39-20-41(31-64-29-39)57(61,62)63/h5-9,12,20,22-29,31,38,42,45,49,65,67H,3-4,10-11,13-19,21,30,32-33H2,1-2H3,(H,68,74)(H,69,75)/t38?,42-,45+,49?/m1/s1
InChIKeyNHNDQQFVRVOZNK-HALHWVQKSA-N
XLogP9.38
TPSA177.22 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001095.16
LogP ≤ 59.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze N-[4-methyl-3-[2-[2-[(2S)-4-[4-[4-[2-methyl-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]-6-[[(2S)-pyrrolidin-2-yl]methoxy]-2-pyridinyl]morpholin-3-yl]pyrrolidin-2-yl]ethoxy]-6-morpholin-4-yl-4-pyridinyl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide with MolForge

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Related Compounds

N-[4-methyl-3-[2-morpholin-4-yl-6-[[(2R)-pyrrolidin-2-yl]methoxy]-4-pyridinyl]phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 118887152
[(2R)-2-hydroxy-3-[[4-[2-methyl-5-[[4-(trifluoromethyl)pyridine-2-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]oxy]propyl] dihydrogen phosphate
CID 118938853
ditert-butyl [2-hydroxy-3-[[4-[2-methyl-5-[[4-(trifluoromethyl)pyridine-2-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]oxy]propyl] phosphate
CID 118938871
N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 162767272
N-[3-[2-(2-hydroxyethoxy)-6-(3-hydroxyoxan-4-yl)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 135133415
6-cyclopropyl-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-4-carboxamide
CID 90460796
N-[3-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a][1,5]naphthyridin-9-yl)-4-methylphenyl]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 129271853
5-chloro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-3-carboxamide
CID 176803137
N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;ethane
CID 163255645
N-[4-methyl-3-(4-morpholin-4-ylpyrimidin-2-yl)phenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide
CID 176803184
N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 164758575
bis(2,2-difluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-1,3-benzodioxole-5-carboxamide);2,2-difluoro-N-[4-methyl-3-(2-morpholin-4-yl-6-propoxy-4-pyridinyl)phenyl]-1,3-benzodioxole-5-carboxamide;4-methyl-3-(2-morpholin-4-yl-6-propoxy-4-pyridinyl)aniline
CID 164977664

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[2-[2-[(2S)-4-[4-[4-[2-methyl-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]-6-[[(2S)-pyrrolidin-2-yl]methoxy]-2-pyridinyl]morpholin-3-yl]pyrrolidin-2-yl]ethoxy]-6-morpholin-4-yl-4-pyridinyl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[4-methyl-3-[2-[2-[(2S)-4-[4-[4-[2-methyl-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]-6-[[(2S)-pyrrolidin-2-yl]methoxy]-2-pyridinyl]morpholin-3-yl]pyrrolidin-2-yl]ethoxy]-6-morpholin-4-yl-4-pyridinyl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide (CID 130425780) is N-[4-methyl-3-[2-[2-[(2S)-4-[4-[4-[2-methyl-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]-6-[[(2S)-pyrrolidin-2-yl]methoxy]-2-pyridinyl]morpholin-3-yl]pyrrolidin-2-yl]ethoxy]-6-morpholin-4-yl-4-pyridinyl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[4-methyl-3-[2-[2-[(2S)-4-[4-[4-[2-methyl-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]-6-[[(2S)-pyrrolidin-2-yl]methoxy]-2-pyridinyl]morpholin-3-yl]pyrrolidin-2-yl]ethoxy]-6-morpholin-4-yl-4-pyridinyl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[4-methyl-3-[2-[2-[(2S)-4-[4-[4-[2-methyl-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]-6-[[(2S)-pyrrolidin-2-yl]methoxy]-2-pyridinyl]morpholin-3-yl]pyrrolidin-2-yl]ethoxy]-6-morpholin-4-yl-4-pyridinyl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide is Cc1ccc(NC(=O)c2cncc(C(F)(F)F)c2)cc1-c1cc(OC[C@@H]2CCCN2)nc(N2CCOCC2C2CN[C@H](CCOc3cc(-c4cc(NC(=O)c5cc(C(F)(F)F)ccn5)ccc4C)cc(N4CCOCC4)n3)C2)c1.
What is the InChIKey of N-[4-methyl-3-[2-[2-[(2S)-4-[4-[4-[2-methyl-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]-6-[[(2S)-pyrrolidin-2-yl]methoxy]-2-pyridinyl]morpholin-3-yl]pyrrolidin-2-yl]ethoxy]-6-morpholin-4-yl-4-pyridinyl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is NHNDQQFVRVOZNK-HALHWVQKSA-N. The full InChI is InChI=1S/C57H60F6N10O6/c1-34-6-8-44(69-55(75)48-26-40(9-12-66-48)56(58,59)60)28-46(34)36-22-50(72-13-17-76-18-14-72)70-52(24-36)78-16-10-42-21-38(30-67-42)49-33-77-19-15-73(49)51-23-37(25-53(71-51)79-32-45-4-3-11-65-45)47-27-43(7-5-35(47)2)68-54(74)39-20-41(31-64-29-39)57(61,62)63/h5-9,12,20,22-29,31,38,42,45,49,65,67H,3-4,10-11,13-19,21,30,32-33H2,1-2H3,(H,68,74)(H,69,75)/t38?,42-,45+,49?/m1/s1.
What are the key properties of N-[4-methyl-3-[2-[2-[(2S)-4-[4-[4-[2-methyl-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]-6-[[(2S)-pyrrolidin-2-yl]methoxy]-2-pyridinyl]morpholin-3-yl]pyrrolidin-2-yl]ethoxy]-6-morpholin-4-yl-4-pyridinyl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
N-[4-methyl-3-[2-[2-[(2S)-4-[4-[4-[2-methyl-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]-6-[[(2S)-pyrrolidin-2-yl]methoxy]-2-pyridinyl]morpholin-3-yl]pyrrolidin-2-yl]ethoxy]-6-morpholin-4-yl-4-pyridinyl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 1095.16 g/mol, XLogP of 9.38, 16 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[2-[2-[(2S)-4-[4-[4-[2-methyl-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]-6-[[(2S)-pyrrolidin-2-yl]methoxy]-2-pyridinyl]morpholin-3-yl]pyrrolidin-2-yl]ethoxy]-6-morpholin-4-yl-4-pyridinyl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 130425780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).