2-fluoro-6-methyl-N-[(2S)-1-[6-(1-methyl-2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-3-yl)-3-pyridinyl]-3-oxohexan-2-yl]-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide;bis(methyl (2S)-2-[[4-[(3S)-3-(2,2-difluoroethyl)morpholin-4-yl]-2-fluoro-6-methylbenzoyl]amino]-3-[6-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)-3-pyridinyl]propanoate);methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[6-(1-methyl-2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-3-yl)-3-pyridinyl]propanoate

C124H128F14N22O25 — CID 158699704

About 2-fluoro-6-methyl-N-[(2S)-1-[6-(1-methyl-2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-3-yl)-3-pyridinyl]-3-oxohexan-2-yl]-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide;bis(methyl (2S)-2-[[4-[(3S)-3-(2,2-difluoroethyl)morpholin-4-yl]-2-fluoro-6-methylbenzoyl]amino]-3-[6-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)-3-pyridinyl]propanoate);methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[6-(1-methyl-2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-3-yl)-3-pyridinyl]propanoate

2-fluoro-6-methyl-N-[(2S)-1-[6-(1-methyl-2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-3-yl)-3-pyridinyl]-3-oxohexan-2-yl]-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide;bis(methyl (2S)-2-[[4-[(3S)-3-(2,2-difluoroethyl)morpholin-4-yl]-2-fluoro-6-methylbenzoyl]amino]-3-[6-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)-3-pyridinyl]propanoate);methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[6-(1-methyl-2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-3-yl)-3-pyridinyl]propanoate (PubChem CID 158699704) has the molecular formula C124H128F14N22O25 and a molecular weight of 2592.49 g/mol. Its IUPAC name is 2-fluoro-6-methyl-N-[(2S)-1-[6-(1-methyl-2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-3-yl)-3-pyridinyl]-3-oxohexan-2-yl]-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide;bis(methyl (2S)-2-[[4-[(3S)-3-(2,2-difluoroethyl)morpholin-4-yl]-2-fluoro-6-methylbenzoyl]amino]-3-[6-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)-3-pyridinyl]propanoate);methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[6-(1-methyl-2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-3-yl)-3-pyridinyl]propanoate.

Molecular Properties

• Compound Name: 2-fluoro-6-methyl-N-[(2S)-1-[6-(1-methyl-2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-3-yl)-3-pyridinyl]-3-oxohexan-2-yl]-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide;bis(methyl (2S)-2-[[4-[(3S)-3-(2,2-difluoroethyl)morpholin-4-yl]-2-fluoro-6-methylbenzoyl]amino]-3-[6-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)-3-pyridinyl]propanoate);methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[6-(1-methyl-2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-3-yl)-3-pyridinyl]propanoate
• PubChem CID: 158699704
• Molecular Formula: C124H128F14N22O25
• Molecular Weight: 2592.49 g/mol
• Exact Mass: 2590.92
• IUPAC Name: 2-fluoro-6-methyl-N-[(2S)-1-[6-(1-methyl-2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-3-yl)-3-pyridinyl]-3-oxohexan-2-yl]-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide;bis(methyl (2S)-2-[[4-[(3S)-3-(2,2-difluoroethyl)morpholin-4-yl]-2-fluoro-6-methylbenzoyl]amino]-3-[6-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)-3-pyridinyl]propanoate);methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[6-(1-methyl-2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-3-yl)-3-pyridinyl]propanoate
• SMILES: CCCC(=O)[C@H](Cc1ccc(-n2c(=O)c3c(n(C)c2=O)CCOC3)nc1)NC(=O)c1c(C)cc(N2CCOC[C@@H]2C(F)(F)F)cc1F.COC(=O)[C@H](Cc1ccc(-n2c(=O)c3c(n(C)c2=O)CCOC3)nc1)NC(=O)c1c(C)cc(N2CCOC[C@@H]2C(F)(F)F)cc1F.COC(=O)[C@H](Cc1ccc(-n2c(=O)c3ccncc3n(C)c2=O)nc1)NC(=O)c1c(C)cc(N2CCOC[C@@H]2CC(F)F)cc1F.COC(=O)[C@H](Cc1ccc(-n2c(=O)c3ccncc3n(C)c2=O)nc1)NC(=O)c1c(C)cc(N2CCOC[C@@H]2CC(F)F)cc1F
• InChI: InChI=1S/C32H35F4N5O6.2C31H31F3N6O6.C30H31F4N5O7/c1-4-5-25(42)23(13-19-6-7-27(37-15-19)41-30(44)21-16-46-10-8-24(21)39(3)31(41)45)38-29(43)28-18(2)12-20(14-22(28)33)40-9-11-47-17-26(40)32(34,35)36;2*1-17-10-19(39-8-9-46-16-20(39)13-25(33)34)12-22(32)27(17)28(41)37-23(30(43)45-3)11-18-4-5-26(36-14-18)40-29(42)21-6-7-35-15-24(21)38(2)31(40)44;1-16-10-18(38-7-9-46-15-23(38)30(32,33)34)12-20(31)25(16)26(40)36-21(28(42)44-3)11-17-4-5-24(35-13-17)39-27(41)19-14-45-8-6-22(19)37(2)29(39)43/h6-7,12,14-15,23,26H,4-5,8-11,13,16-17H2,1-3H3,(H,38,43);2*4-7,10,12,14-15,20,23,25H,8-9,11,13,16H2,1-3H3,(H,37,41);4-5,10,12-13,21,23H,6-9,11,14-15H2,1-3H3,(H,36,40)/t23-,26+;2*20-,23-;21-,23+/m0000/s1
• InChIKey: IHJRCDYIRWTFMP-JMQGNZHASA-N
• XLogP: 9.27
• TPSA: 534.05 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 43
• Rotatable Bonds: 34
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2592.49
LogP ≤ 5	9.27
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methyl-N-[(2S)-1-[6-(1-methyl-2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-3-yl)-3-pyridinyl]-3-oxohexan-2-yl]-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide;bis(methyl (2S)-2-[[4-[(3S)-3-(2,2-difluoroethyl)morpholin-4-yl]-2-fluoro-6-methylbenzoyl]amino]-3-[6-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)-3-pyridinyl]propanoate);methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[6-(1-methyl-2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-3-yl)-3-pyridinyl]propanoate?

The IUPAC name of 2-fluoro-6-methyl-N-[(2S)-1-[6-(1-methyl-2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-3-yl)-3-pyridinyl]-3-oxohexan-2-yl]-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide;bis(methyl (2S)-2-[[4-[(3S)-3-(2,2-difluoroethyl)morpholin-4-yl]-2-fluoro-6-methylbenzoyl]amino]-3-[6-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)-3-pyridinyl]propanoate);methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[6-(1-methyl-2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-3-yl)-3-pyridinyl]propanoate (CID 158699704) is 2-fluoro-6-methyl-N-[(2S)-1-[6-(1-methyl-2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-3-yl)-3-pyridinyl]-3-oxohexan-2-yl]-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide;bis(methyl (2S)-2-[[4-[(3S)-3-(2,2-difluoroethyl)morpholin-4-yl]-2-fluoro-6-methylbenzoyl]amino]-3-[6-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)-3-pyridinyl]propanoate);methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[6-(1-methyl-2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-3-yl)-3-pyridinyl]propanoate.

What is the SMILES notation for 2-fluoro-6-methyl-N-[(2S)-1-[6-(1-methyl-2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-3-yl)-3-pyridinyl]-3-oxohexan-2-yl]-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide;bis(methyl (2S)-2-[[4-[(3S)-3-(2,2-difluoroethyl)morpholin-4-yl]-2-fluoro-6-methylbenzoyl]amino]-3-[6-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)-3-pyridinyl]propanoate);methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[6-(1-methyl-2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-3-yl)-3-pyridinyl]propanoate?

The canonical SMILES for 2-fluoro-6-methyl-N-[(2S)-1-[6-(1-methyl-2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-3-yl)-3-pyridinyl]-3-oxohexan-2-yl]-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide;bis(methyl (2S)-2-[[4-[(3S)-3-(2,2-difluoroethyl)morpholin-4-yl]-2-fluoro-6-methylbenzoyl]amino]-3-[6-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)-3-pyridinyl]propanoate);methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[6-(1-methyl-2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-3-yl)-3-pyridinyl]propanoate is CCCC(=O)[C@H](Cc1ccc(-n2c(=O)c3c(n(C)c2=O)CCOC3)nc1)NC(=O)c1c(C)cc(N2CCOC[C@@H]2C(F)(F)F)cc1F.COC(=O)[C@H](Cc1ccc(-n2c(=O)c3c(n(C)c2=O)CCOC3)nc1)NC(=O)c1c(C)cc(N2CCOC[C@@H]2C(F)(F)F)cc1F.COC(=O)[C@H](Cc1ccc(-n2c(=O)c3ccncc3n(C)c2=O)nc1)NC(=O)c1c(C)cc(N2CCOC[C@@H]2CC(F)F)cc1F.COC(=O)[C@H](Cc1ccc(-n2c(=O)c3ccncc3n(C)c2=O)nc1)NC(=O)c1c(C)cc(N2CCOC[C@@H]2CC(F)F)cc1F.

What is the InChIKey of 2-fluoro-6-methyl-N-[(2S)-1-[6-(1-methyl-2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-3-yl)-3-pyridinyl]-3-oxohexan-2-yl]-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide;bis(methyl (2S)-2-[[4-[(3S)-3-(2,2-difluoroethyl)morpholin-4-yl]-2-fluoro-6-methylbenzoyl]amino]-3-[6-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)-3-pyridinyl]propanoate);methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[6-(1-methyl-2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-3-yl)-3-pyridinyl]propanoate?

The InChIKey is IHJRCDYIRWTFMP-JMQGNZHASA-N. The full InChI is InChI=1S/C32H35F4N5O6.2C31H31F3N6O6.C30H31F4N5O7/c1-4-5-25(42)23(13-19-6-7-27(37-15-19)41-30(44)21-16-46-10-8-24(21)39(3)31(41)45)38-29(43)28-18(2)12-20(14-22(28)33)40-9-11-47-17-26(40)32(34,35)36;2*1-17-10-19(39-8-9-46-16-20(39)13-25(33)34)12-22(32)27(17)28(41)37-23(30(43)45-3)11-18-4-5-26(36-14-18)40-29(42)21-6-7-35-15-24(21)38(2)31(40)44;1-16-10-18(38-7-9-46-15-23(38)30(32,33)34)12-20(31)25(16)26(40)36-21(28(42)44-3)11-17-4-5-24(35-13-17)39-27(41)19-14-45-8-6-22(19)37(2)29(39)43/h6-7,12,14-15,23,26H,4-5,8-11,13,16-17H2,1-3H3,(H,38,43);2*4-7,10,12,14-15,20,23,25H,8-9,11,13,16H2,1-3H3,(H,37,41);4-5,10,12-13,21,23H,6-9,11,14-15H2,1-3H3,(H,36,40)/t23-,26+;2*20-,23-;21-,23+/m0000/s1.

What are the key properties of 2-fluoro-6-methyl-N-[(2S)-1-[6-(1-methyl-2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-3-yl)-3-pyridinyl]-3-oxohexan-2-yl]-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide;bis(methyl (2S)-2-[[4-[(3S)-3-(2,2-difluoroethyl)morpholin-4-yl]-2-fluoro-6-methylbenzoyl]amino]-3-[6-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)-3-pyridinyl]propanoate);methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[6-(1-methyl-2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-3-yl)-3-pyridinyl]propanoate?

2-fluoro-6-methyl-N-[(2S)-1-[6-(1-methyl-2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-3-yl)-3-pyridinyl]-3-oxohexan-2-yl]-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide;bis(methyl (2S)-2-[[4-[(3S)-3-(2,2-difluoroethyl)morpholin-4-yl]-2-fluoro-6-methylbenzoyl]amino]-3-[6-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)-3-pyridinyl]propanoate);methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[6-(1-methyl-2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-3-yl)-3-pyridinyl]propanoate has a molecular weight of 2592.49 g/mol, XLogP of 9.27, 34 rotatable bonds, 4 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-6-methyl-N-[(2S)-1-[6-(1-methyl-2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-3-yl)-3-pyridinyl]-3-oxohexan-2-yl]-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide;bis(methyl (2S)-2-[[4-[(3S)-3-(2,2-difluoroethyl)morpholin-4-yl]-2-fluoro-6-methylbenzoyl]amino]-3-[6-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)-3-pyridinyl]propanoate);methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[6-(1-methyl-2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-3-yl)-3-pyridinyl]propanoate is sourced from PubChem (CID 158699704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).