N-[(2S)-1-[8-[1,4-dimethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-3-methoxybut-3-en-2-yl]-2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide;methyl (2S)-3-[8-[1,4-dimethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]propanoate;methyl (2S)-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]propanoate

C97H92F21N15O14 — CID 159446898

About N-[(2S)-1-[8-[1,4-dimethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-3-methoxybut-3-en-2-yl]-2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide;methyl (2S)-3-[8-[1,4-dimethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]propanoate;methyl (2S)-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]propanoate

N-[(2S)-1-[8-[1,4-dimethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-3-methoxybut-3-en-2-yl]-2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide;methyl (2S)-3-[8-[1,4-dimethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]propanoate;methyl (2S)-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]propanoate (PubChem CID 159446898) has the molecular formula C97H92F21N15O14 and a molecular weight of 2090.85 g/mol. Its IUPAC name is N-[(2S)-1-[8-[1,4-dimethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-3-methoxybut-3-en-2-yl]-2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide;methyl (2S)-3-[8-[1,4-dimethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]propanoate;methyl (2S)-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]propanoate.

Molecular Properties

• Compound Name: N-[(2S)-1-[8-[1,4-dimethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-3-methoxybut-3-en-2-yl]-2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide;methyl (2S)-3-[8-[1,4-dimethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]propanoate;methyl (2S)-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]propanoate
• PubChem CID: 159446898
• Molecular Formula: C97H92F21N15O14
• Molecular Weight: 2090.85 g/mol
• Exact Mass: 2089.66
• IUPAC Name: N-[(2S)-1-[8-[1,4-dimethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-3-methoxybut-3-en-2-yl]-2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide;methyl (2S)-3-[8-[1,4-dimethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]propanoate;methyl (2S)-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]propanoate
• SMILES: C=C(OC)[C@H](Cc1ccc(-c2c(C)c(C(F)(F)F)cn(C)c2=O)c2nccn12)NC(=O)c1c(C)cc(N2CCOC[C@@H]2C(F)(F)F)cc1F.COC(=O)[C@H](Cc1ccc(-c2c(C(F)(F)F)cc(C)n(C)c2=O)c2nccn12)NC(=O)c1c(C)cc(N2CCOC[C@@H]2C(F)(F)F)cc1F.COC(=O)[C@H](Cc1ccc(-c2c(C)c(C(F)(F)F)cn(C)c2=O)c2nccn12)NC(=O)c1c(C)cc(N2CCOC[C@@H]2C(F)(F)F)cc1F
• InChI: InChI=1S/C33H32F7N5O4.2C32H30F7N5O5/c1-17-12-21(44-10-11-49-16-26(44)33(38,39)40)13-24(34)27(17)30(46)42-25(19(3)48-5)14-20-6-7-22(29-41-8-9-45(20)29)28-18(2)23(32(35,36)37)15-43(4)31(28)47;1-16-11-19(43-9-10-49-15-24(43)32(37,38)39)12-22(33)25(16)28(45)41-23(30(47)48-4)13-18-5-6-20(27-40-7-8-44(18)27)26-17(2)21(31(34,35)36)14-42(3)29(26)46;1-16-11-19(43-9-10-49-15-24(43)32(37,38)39)13-22(33)25(16)28(45)41-23(30(47)48-4)14-18-5-6-20(27-40-7-8-44(18)27)26-21(31(34,35)36)12-17(2)42(3)29(26)46/h6-9,12-13,15,25-26H,3,10-11,14,16H2,1-2,4-5H3,(H,42,46);5-8,11-12,14,23-24H,9-10,13,15H2,1-4H3,(H,41,45);5-8,11-13,23-24H,9-10,14-15H2,1-4H3,(H,41,45)/t25-,26+;2*23-,24+/m000/s1
• InChIKey: LSWHCPZGENZQRJ-YKAMIQBMSA-N
• XLogP: 15.26
• TPSA: 304.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 26
• Rotatable Bonds: 22
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2090.85
LogP ≤ 5	15.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[8-[1,4-dimethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-3-methoxybut-3-en-2-yl]-2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide;methyl (2S)-3-[8-[1,4-dimethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]propanoate;methyl (2S)-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]propanoate?

The IUPAC name of N-[(2S)-1-[8-[1,4-dimethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-3-methoxybut-3-en-2-yl]-2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide;methyl (2S)-3-[8-[1,4-dimethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]propanoate;methyl (2S)-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]propanoate (CID 159446898) is N-[(2S)-1-[8-[1,4-dimethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-3-methoxybut-3-en-2-yl]-2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide;methyl (2S)-3-[8-[1,4-dimethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]propanoate;methyl (2S)-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]propanoate.

What is the SMILES notation for N-[(2S)-1-[8-[1,4-dimethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-3-methoxybut-3-en-2-yl]-2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide;methyl (2S)-3-[8-[1,4-dimethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]propanoate;methyl (2S)-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]propanoate?

The canonical SMILES for N-[(2S)-1-[8-[1,4-dimethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-3-methoxybut-3-en-2-yl]-2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide;methyl (2S)-3-[8-[1,4-dimethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]propanoate;methyl (2S)-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]propanoate is C=C(OC)[C@H](Cc1ccc(-c2c(C)c(C(F)(F)F)cn(C)c2=O)c2nccn12)NC(=O)c1c(C)cc(N2CCOC[C@@H]2C(F)(F)F)cc1F.COC(=O)[C@H](Cc1ccc(-c2c(C(F)(F)F)cc(C)n(C)c2=O)c2nccn12)NC(=O)c1c(C)cc(N2CCOC[C@@H]2C(F)(F)F)cc1F.COC(=O)[C@H](Cc1ccc(-c2c(C)c(C(F)(F)F)cn(C)c2=O)c2nccn12)NC(=O)c1c(C)cc(N2CCOC[C@@H]2C(F)(F)F)cc1F.

What is the InChIKey of N-[(2S)-1-[8-[1,4-dimethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-3-methoxybut-3-en-2-yl]-2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide;methyl (2S)-3-[8-[1,4-dimethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]propanoate;methyl (2S)-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]propanoate?

The InChIKey is LSWHCPZGENZQRJ-YKAMIQBMSA-N. The full InChI is InChI=1S/C33H32F7N5O4.2C32H30F7N5O5/c1-17-12-21(44-10-11-49-16-26(44)33(38,39)40)13-24(34)27(17)30(46)42-25(19(3)48-5)14-20-6-7-22(29-41-8-9-45(20)29)28-18(2)23(32(35,36)37)15-43(4)31(28)47;1-16-11-19(43-9-10-49-15-24(43)32(37,38)39)12-22(33)25(16)28(45)41-23(30(47)48-4)13-18-5-6-20(27-40-7-8-44(18)27)26-17(2)21(31(34,35)36)14-42(3)29(26)46;1-16-11-19(43-9-10-49-15-24(43)32(37,38)39)13-22(33)25(16)28(45)41-23(30(47)48-4)14-18-5-6-20(27-40-7-8-44(18)27)26-21(31(34,35)36)12-17(2)42(3)29(26)46/h6-9,12-13,15,25-26H,3,10-11,14,16H2,1-2,4-5H3,(H,42,46);5-8,11-12,14,23-24H,9-10,13,15H2,1-4H3,(H,41,45);5-8,11-13,23-24H,9-10,14-15H2,1-4H3,(H,41,45)/t25-,26+;2*23-,24+/m000/s1.

What are the key properties of N-[(2S)-1-[8-[1,4-dimethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-3-methoxybut-3-en-2-yl]-2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide;methyl (2S)-3-[8-[1,4-dimethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]propanoate;methyl (2S)-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]propanoate?

N-[(2S)-1-[8-[1,4-dimethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-3-methoxybut-3-en-2-yl]-2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide;methyl (2S)-3-[8-[1,4-dimethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]propanoate;methyl (2S)-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]propanoate has a molecular weight of 2090.85 g/mol, XLogP of 15.26, 22 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[8-[1,4-dimethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-3-methoxybut-3-en-2-yl]-2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide;methyl (2S)-3-[8-[1,4-dimethyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]propanoate;methyl (2S)-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]propanoate is sourced from PubChem (CID 159446898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).