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

C92H88Cl2F14N16O14 — CID 158456481

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

N-[(2S)-1-[8-(5-chloro-1,6-dimethyl-2-oxo-3-pyridinyl)imidazo[1,2-a]pyridin-5-yl]-3-methoxybut-3-en-2-yl]-2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide;methyl (2S)-3-[8-(5-chloro-1,6-dimethyl-2-oxo-3-pyridinyl)imidazo[1,2-a]pyridin-5-yl]-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]propanoate;methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)imidazo[1,2-a]pyridin-5-yl]propanoate (PubChem CID 158456481) has the molecular formula C92H88Cl2F14N16O14 and a molecular weight of 1978.69 g/mol. Its IUPAC name is N-[(2S)-1-[8-(5-chloro-1,6-dimethyl-2-oxo-3-pyridinyl)imidazo[1,2-a]pyridin-5-yl]-3-methoxybut-3-en-2-yl]-2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide;methyl (2S)-3-[8-(5-chloro-1,6-dimethyl-2-oxo-3-pyridinyl)imidazo[1,2-a]pyridin-5-yl]-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]propanoate;methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)imidazo[1,2-a]pyridin-5-yl]propanoate.

Molecular Properties

• Compound Name: N-[(2S)-1-[8-(5-chloro-1,6-dimethyl-2-oxo-3-pyridinyl)imidazo[1,2-a]pyridin-5-yl]-3-methoxybut-3-en-2-yl]-2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide;methyl (2S)-3-[8-(5-chloro-1,6-dimethyl-2-oxo-3-pyridinyl)imidazo[1,2-a]pyridin-5-yl]-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]propanoate;methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)imidazo[1,2-a]pyridin-5-yl]propanoate
• PubChem CID: 158456481
• Molecular Formula: C92H88Cl2F14N16O14
• Molecular Weight: 1978.69 g/mol
• Exact Mass: 1976.58
• IUPAC Name: N-[(2S)-1-[8-(5-chloro-1,6-dimethyl-2-oxo-3-pyridinyl)imidazo[1,2-a]pyridin-5-yl]-3-methoxybut-3-en-2-yl]-2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide;methyl (2S)-3-[8-(5-chloro-1,6-dimethyl-2-oxo-3-pyridinyl)imidazo[1,2-a]pyridin-5-yl]-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]propanoate;methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)imidazo[1,2-a]pyridin-5-yl]propanoate
• SMILES: C=C(OC)[C@H](Cc1ccc(-c2cc(Cl)c(C)n(C)c2=O)c2nccn12)NC(=O)c1c(F)cc(N2CCOC[C@@H]2C(F)(F)F)cc1F.COC(=O)[C@H](Cc1ccc(-c2cc(Cl)c(C)n(C)c2=O)c2nccn12)NC(=O)c1c(F)cc(N2CCOC[C@@H]2C(F)(F)F)cc1F.COC(=O)[C@H](Cc1ccc(-c2nc(C)c(C)n(C)c2=O)c2nccn12)NC(=O)c1c(C)cc(N2CCOC[C@@H]2C(F)(F)F)cc1F
• InChI: InChI=1S/C31H29ClF5N5O4.C31H32F4N6O5.C30H27ClF5N5O5/c1-16-22(32)14-21(30(44)40(16)3)20-6-5-18(42-8-7-38-28(20)42)13-25(17(2)45-4)39-29(43)27-23(33)11-19(12-24(27)34)41-9-10-46-15-26(41)31(35,36)37;1-16-12-20(40-10-11-46-15-24(40)31(33,34)35)13-22(32)25(16)28(42)38-23(30(44)45-5)14-19-6-7-21(27-36-8-9-41(19)27)26-29(43)39(4)18(3)17(2)37-26;1-15-20(31)13-19(28(43)39(15)2)18-5-4-16(41-7-6-37-26(18)41)12-23(29(44)45-3)38-27(42)25-21(32)10-17(11-22(25)33)40-8-9-46-14-24(40)30(34,35)36/h5-8,11-12,14,25-26H,2,9-10,13,15H2,1,3-4H3,(H,39,43);6-9,12-13,23-24H,10-11,14-15H2,1-5H3,(H,38,42);4-7,10-11,13,23-24H,8-9,12,14H2,1-3H3,(H,38,42)/t25-,26+;2*23-,24+/m000/s1
• InChIKey: HEPZZDWGZVVDFS-YKAMIQBMSA-N
• XLogP: 12.87
• TPSA: 317.33 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 27
• Rotatable Bonds: 22
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1978.69
LogP ≤ 5	12.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	27

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

The IUPAC name of N-[(2S)-1-[8-(5-chloro-1,6-dimethyl-2-oxo-3-pyridinyl)imidazo[1,2-a]pyridin-5-yl]-3-methoxybut-3-en-2-yl]-2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide;methyl (2S)-3-[8-(5-chloro-1,6-dimethyl-2-oxo-3-pyridinyl)imidazo[1,2-a]pyridin-5-yl]-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]propanoate;methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)imidazo[1,2-a]pyridin-5-yl]propanoate (CID 158456481) is N-[(2S)-1-[8-(5-chloro-1,6-dimethyl-2-oxo-3-pyridinyl)imidazo[1,2-a]pyridin-5-yl]-3-methoxybut-3-en-2-yl]-2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide;methyl (2S)-3-[8-(5-chloro-1,6-dimethyl-2-oxo-3-pyridinyl)imidazo[1,2-a]pyridin-5-yl]-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]propanoate;methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)imidazo[1,2-a]pyridin-5-yl]propanoate.

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

The canonical SMILES for N-[(2S)-1-[8-(5-chloro-1,6-dimethyl-2-oxo-3-pyridinyl)imidazo[1,2-a]pyridin-5-yl]-3-methoxybut-3-en-2-yl]-2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide;methyl (2S)-3-[8-(5-chloro-1,6-dimethyl-2-oxo-3-pyridinyl)imidazo[1,2-a]pyridin-5-yl]-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]propanoate;methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)imidazo[1,2-a]pyridin-5-yl]propanoate is C=C(OC)[C@H](Cc1ccc(-c2cc(Cl)c(C)n(C)c2=O)c2nccn12)NC(=O)c1c(F)cc(N2CCOC[C@@H]2C(F)(F)F)cc1F.COC(=O)[C@H](Cc1ccc(-c2cc(Cl)c(C)n(C)c2=O)c2nccn12)NC(=O)c1c(F)cc(N2CCOC[C@@H]2C(F)(F)F)cc1F.COC(=O)[C@H](Cc1ccc(-c2nc(C)c(C)n(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-(5-chloro-1,6-dimethyl-2-oxo-3-pyridinyl)imidazo[1,2-a]pyridin-5-yl]-3-methoxybut-3-en-2-yl]-2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide;methyl (2S)-3-[8-(5-chloro-1,6-dimethyl-2-oxo-3-pyridinyl)imidazo[1,2-a]pyridin-5-yl]-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]propanoate;methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)imidazo[1,2-a]pyridin-5-yl]propanoate?

The InChIKey is HEPZZDWGZVVDFS-YKAMIQBMSA-N. The full InChI is InChI=1S/C31H29ClF5N5O4.C31H32F4N6O5.C30H27ClF5N5O5/c1-16-22(32)14-21(30(44)40(16)3)20-6-5-18(42-8-7-38-28(20)42)13-25(17(2)45-4)39-29(43)27-23(33)11-19(12-24(27)34)41-9-10-46-15-26(41)31(35,36)37;1-16-12-20(40-10-11-46-15-24(40)31(33,34)35)13-22(32)25(16)28(42)38-23(30(44)45-5)14-19-6-7-21(27-36-8-9-41(19)27)26-29(43)39(4)18(3)17(2)37-26;1-15-20(31)13-19(28(43)39(15)2)18-5-4-16(41-7-6-37-26(18)41)12-23(29(44)45-3)38-27(42)25-21(32)10-17(11-22(25)33)40-8-9-46-14-24(40)30(34,35)36/h5-8,11-12,14,25-26H,2,9-10,13,15H2,1,3-4H3,(H,39,43);6-9,12-13,23-24H,10-11,14-15H2,1-5H3,(H,38,42);4-7,10-11,13,23-24H,8-9,12,14H2,1-3H3,(H,38,42)/t25-,26+;2*23-,24+/m000/s1.

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

N-[(2S)-1-[8-(5-chloro-1,6-dimethyl-2-oxo-3-pyridinyl)imidazo[1,2-a]pyridin-5-yl]-3-methoxybut-3-en-2-yl]-2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide;methyl (2S)-3-[8-(5-chloro-1,6-dimethyl-2-oxo-3-pyridinyl)imidazo[1,2-a]pyridin-5-yl]-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]propanoate;methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)imidazo[1,2-a]pyridin-5-yl]propanoate has a molecular weight of 1978.69 g/mol, XLogP of 12.87, 22 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[8-(5-chloro-1,6-dimethyl-2-oxo-3-pyridinyl)imidazo[1,2-a]pyridin-5-yl]-3-methoxybut-3-en-2-yl]-2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide;methyl (2S)-3-[8-(5-chloro-1,6-dimethyl-2-oxo-3-pyridinyl)imidazo[1,2-a]pyridin-5-yl]-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]propanoate;methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)imidazo[1,2-a]pyridin-5-yl]propanoate is sourced from PubChem (CID 158456481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).