4-[ethyl-[5-methyl-3-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-pyridinyl]amino]-N,N-dimethylpiperidine-1-carboxamide;(4S,5R)-3-[[2-[ethyl(piperidin-4-yl)amino]-5-methyl-3-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one

C55H71F6N9O5 — CID 159209918

IUPAC4-[ethyl-[5-methyl-3-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-pyridinyl]amino]-N,N-dimethylpiperidine-1-carboxamide;(4S,5R)-3-[[2-[ethyl(piperidin-4-yl)amino]-5-methyl-3-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESCCN(c1ncc(C)cc1CN1C(=O)O[C@H](c2cc(C)cc(C(F)(F)F)c2)[C@@H]1C)C1CCN(C(=O)N(C)C)CC1.CCN(c1ncc(C)cc1CN1C(=O)O[C@H](c2cc(C)cc(C(F)(F)F)c2)[C@@H]1C)C1CCNCC1
InChIInChI=1S/C29H38F3N5O3.C26H33F3N4O2/c1-7-36(24-8-10-35(11-9-24)27(38)34(5)6)26-22(13-19(3)16-33-26)17-37-20(4)25(40-28(37)39)21-12-18(2)14-23(15-21)29(30,31)32;1-5-32(22-6-8-30-9-7-22)24-20(11-17(3)14-31-24)15-33-18(4)23(35-25(33)34)19-10-16(2)12-21(13-19)26(27,28)29/h12-16,20,24-25H,7-11,17H2,1-6H3;10-14,18,22-23,30H,5-9,15H2,1-4H3/t20-,25-;18-,23-/m00/s1
InChIKeyKQJDIRHRGDVZFO-CSSUBQKGSA-N
MW1052.22 g/mol
LogP11.15
Rot. Bonds12

About 4-[ethyl-[5-methyl-3-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-pyridinyl]amino]-N,N-dimethylpiperidine-1-carboxamide;(4S,5R)-3-[[2-[ethyl(piperidin-4-yl)amino]-5-methyl-3-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one

4-[ethyl-[5-methyl-3-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-pyridinyl]amino]-N,N-dimethylpiperidine-1-carboxamide;(4S,5R)-3-[[2-[ethyl(piperidin-4-yl)amino]-5-methyl-3-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 159209918) has the molecular formula C55H71F6N9O5 and a molecular weight of 1052.22 g/mol. Its IUPAC name is 4-[ethyl-[5-methyl-3-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-pyridinyl]amino]-N,N-dimethylpiperidine-1-carboxamide;(4S,5R)-3-[[2-[ethyl(piperidin-4-yl)amino]-5-methyl-3-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-[ethyl-[5-methyl-3-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-pyridinyl]amino]-N,N-dimethylpiperidine-1-carboxamide;(4S,5R)-3-[[2-[ethyl(piperidin-4-yl)amino]-5-methyl-3-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
PubChem CID159209918
Molecular FormulaC55H71F6N9O5
Molecular Weight1052.22 g/mol
Exact Mass1051.55
IUPAC Name4-[ethyl-[5-methyl-3-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-pyridinyl]amino]-N,N-dimethylpiperidine-1-carboxamide;(4S,5R)-3-[[2-[ethyl(piperidin-4-yl)amino]-5-methyl-3-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESCCN(c1ncc(C)cc1CN1C(=O)O[C@H](c2cc(C)cc(C(F)(F)F)c2)[C@@H]1C)C1CCN(C(=O)N(C)C)CC1.CCN(c1ncc(C)cc1CN1C(=O)O[C@H](c2cc(C)cc(C(F)(F)F)c2)[C@@H]1C)C1CCNCC1
InChIInChI=1S/C29H38F3N5O3.C26H33F3N4O2/c1-7-36(24-8-10-35(11-9-24)27(38)34(5)6)26-22(13-19(3)16-33-26)17-37-20(4)25(40-28(37)39)21-12-18(2)14-23(15-21)29(30,31)32;1-5-32(22-6-8-30-9-7-22)24-20(11-17(3)14-31-24)15-33-18(4)23(35-25(33)34)19-10-16(2)12-21(13-19)26(27,28)29/h12-16,20,24-25H,7-11,17H2,1-6H3;10-14,18,22-23,30H,5-9,15H2,1-4H3/t20-,25-;18-,23-/m00/s1
InChIKeyKQJDIRHRGDVZFO-CSSUBQKGSA-N
XLogP11.15
TPSA126.92 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001052.22
LogP ≤ 511.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 4-[ethyl-[5-methyl-3-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-pyridinyl]amino]-N,N-dimethylpiperidine-1-carboxamide;(4S,5R)-3-[[2-[ethyl(piperidin-4-yl)amino]-5-methyl-3-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

methyl 4-[ethyl-[5-methyl-3-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-pyridinyl]amino]piperidine-1-carboxylate
CID 118880436
(4S,5R)-3-[[2-[ethyl(thian-4-yl)amino]-5-methyl-3-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 118880428
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-[ethyl(piperidin-4-yl)amino]-5-(trifluoromethyl)-3-pyridinyl]methyl]-4-methyl-1,3-oxazolidin-2-one
CID 72944978
(4S,5R)-3-[[2-[(1-acetylpiperidin-4-yl)-ethylamino]-5-(trifluoromethyl)-3-pyridinyl]methyl]-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one
CID 72944979
3-[[2-[(1-acetylpiperidin-4-yl)-ethylamino]-5-(trifluoromethyl)-3-pyridinyl]methyl]-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one
CID 123588514
5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-[ethyl-(1-propanoylpiperidin-4-yl)amino]-5-(trifluoromethyl)-3-pyridinyl]methyl]-4-methyl-1,3-oxazolidin-2-one
CID 123261791
(4S,5R)-3-[[5-(azetidin-1-yl)-2-[ethyl(oxan-4-yl)amino]-3-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 118880448
(4S)-3-[[2-[cyclohexyl(ethyl)amino]-5-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 118880469
(4S,5R)-4-methyl-3-[[5-methyl-2-[methyl(oxan-4-yl)amino]-3-pyridinyl]methyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-4-methyl-3-[[5-methyl-2-(oxan-4-ylmethyl)-3-pyridinyl]methyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 161436858
(4S,5R)-3-[[5-bromo-2-[cyclohexyl(ethyl)amino]-3-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[[2-[cyclohexyl(ethyl)amino]-5-(1-methyltetrazol-5-yl)-3-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 157430696
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-[cyclohexyl(ethyl)amino]-5-(2,4-dimethyl-1,3-thiazol-5-yl)-3-pyridinyl]methyl]-4-methyl-1,3-oxazolidin-2-one
CID 85471475
methyl 2-[4-[[3-[[5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-5-(1-fluoroethyl)-2-pyridinyl]-ethylamino]cyclohexyl]acetate
CID 123323361

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-[5-methyl-3-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-pyridinyl]amino]-N,N-dimethylpiperidine-1-carboxamide;(4S,5R)-3-[[2-[ethyl(piperidin-4-yl)amino]-5-methyl-3-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-[ethyl-[5-methyl-3-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-pyridinyl]amino]-N,N-dimethylpiperidine-1-carboxamide;(4S,5R)-3-[[2-[ethyl(piperidin-4-yl)amino]-5-methyl-3-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (CID 159209918) is 4-[ethyl-[5-methyl-3-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-pyridinyl]amino]-N,N-dimethylpiperidine-1-carboxamide;(4S,5R)-3-[[2-[ethyl(piperidin-4-yl)amino]-5-methyl-3-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-[ethyl-[5-methyl-3-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-pyridinyl]amino]-N,N-dimethylpiperidine-1-carboxamide;(4S,5R)-3-[[2-[ethyl(piperidin-4-yl)amino]-5-methyl-3-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-[ethyl-[5-methyl-3-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-pyridinyl]amino]-N,N-dimethylpiperidine-1-carboxamide;(4S,5R)-3-[[2-[ethyl(piperidin-4-yl)amino]-5-methyl-3-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is CCN(c1ncc(C)cc1CN1C(=O)O[C@H](c2cc(C)cc(C(F)(F)F)c2)[C@@H]1C)C1CCN(C(=O)N(C)C)CC1.CCN(c1ncc(C)cc1CN1C(=O)O[C@H](c2cc(C)cc(C(F)(F)F)c2)[C@@H]1C)C1CCNCC1.
What is the InChIKey of 4-[ethyl-[5-methyl-3-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-pyridinyl]amino]-N,N-dimethylpiperidine-1-carboxamide;(4S,5R)-3-[[2-[ethyl(piperidin-4-yl)amino]-5-methyl-3-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is KQJDIRHRGDVZFO-CSSUBQKGSA-N. The full InChI is InChI=1S/C29H38F3N5O3.C26H33F3N4O2/c1-7-36(24-8-10-35(11-9-24)27(38)34(5)6)26-22(13-19(3)16-33-26)17-37-20(4)25(40-28(37)39)21-12-18(2)14-23(15-21)29(30,31)32;1-5-32(22-6-8-30-9-7-22)24-20(11-17(3)14-31-24)15-33-18(4)23(35-25(33)34)19-10-16(2)12-21(13-19)26(27,28)29/h12-16,20,24-25H,7-11,17H2,1-6H3;10-14,18,22-23,30H,5-9,15H2,1-4H3/t20-,25-;18-,23-/m00/s1.
What are the key properties of 4-[ethyl-[5-methyl-3-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-pyridinyl]amino]-N,N-dimethylpiperidine-1-carboxamide;(4S,5R)-3-[[2-[ethyl(piperidin-4-yl)amino]-5-methyl-3-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
4-[ethyl-[5-methyl-3-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-pyridinyl]amino]-N,N-dimethylpiperidine-1-carboxamide;(4S,5R)-3-[[2-[ethyl(piperidin-4-yl)amino]-5-methyl-3-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 1052.22 g/mol, XLogP of 11.15, 12 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-[5-methyl-3-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-pyridinyl]amino]-N,N-dimethylpiperidine-1-carboxamide;(4S,5R)-3-[[2-[ethyl(piperidin-4-yl)amino]-5-methyl-3-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 159209918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).