7-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-N-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide;7-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-2-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxylic acid;(3R)-3-amino-1-[3-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[3,4-e][1,2,4]triazin-6-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-(8-methyl-6,8-dihydro-5H-1,7-naphthyridin-7-yl)-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-(5-methyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)-4-(2,4,5-trifluorophenyl)butan-1-one

C₁₀₃H₁₀₃F₂₀N₁₉O₈ — CID 158883004

About 7-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-N-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide;7-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-2-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxylic acid;(3R)-3-amino-1-[3-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[3,4-e][1,2,4]triazin-6-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-(8-methyl-6,8-dihydro-5H-1,7-naphthyridin-7-yl)-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-(5-methyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)-4-(2,4,5-trifluorophenyl)butan-1-one

7-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-N-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide;7-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-2-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxylic acid;(3R)-3-amino-1-[3-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[3,4-e][1,2,4]triazin-6-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-(8-methyl-6,8-dihydro-5H-1,7-naphthyridin-7-yl)-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-(5-methyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)-4-(2,4,5-trifluorophenyl)butan-1-one (PubChem CID 158883004) has the molecular formula C₁₀₃H₁₀₃F₂₀N₁₉O₈ and a molecular weight of 2115.04 g/mol. Its IUPAC name is 7-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-N-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide;7-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-2-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxylic acid;(3R)-3-amino-1-[3-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[3,4-e][1,2,4]triazin-6-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-(8-methyl-6,8-dihydro-5H-1,7-naphthyridin-7-yl)-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-(5-methyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)-4-(2,4,5-trifluorophenyl)butan-1-one.

Molecular Properties

• Compound Name: 7-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-N-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide;7-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-2-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxylic acid;(3R)-3-amino-1-[3-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[3,4-e][1,2,4]triazin-6-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-(8-methyl-6,8-dihydro-5H-1,7-naphthyridin-7-yl)-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-(5-methyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)-4-(2,4,5-trifluorophenyl)butan-1-one
• PubChem CID: 158883004
• Molecular Formula: C₁₀₃H₁₀₃F₂₀N₁₉O₈
• Molecular Weight: 2115.04 g/mol
• Exact Mass: 2113.79
• IUPAC Name: 7-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-N-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide;7-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-2-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxylic acid;(3R)-3-amino-1-[3-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[3,4-e][1,2,4]triazin-6-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-(8-methyl-6,8-dihydro-5H-1,7-naphthyridin-7-yl)-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-(5-methyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)-4-(2,4,5-trifluorophenyl)butan-1-one
• SMILES: CC(C)(C)NC(=O)c1cc2c(nc1C(F)(F)F)CN(C(=O)C[C@H](N)Cc1cc(F)ccc1F)CC2.CC1c2ncccc2CCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F.CC1c2nccnc2CCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F.N[C@@H](CC(=O)N1CCc2cc(C(=O)O)c(C(F)(F)F)nc2C1)Cc1cc(F)ccc1F.N[C@@H](CC(=O)N1CCc2nnc(-c3ccc(F)cc3)nc2C1)Cc1cc(F)c(F)cc1F
• InChI: InChI=1S/C24H27F5N4O2.C22H19F4N5O.C20H18F5N3O3.C19H20F3N3O.C18H19F3N4O/c1-23(2,3)32-22(35)17-10-13-6-7-33(12-19(13)31-21(17)24(27,28)29)20(34)11-16(30)9-14-8-15(25)4-5-18(14)26;23-14-3-1-12(2-4-14)22-28-20-11-31(6-5-19(20)29-30-22)21(32)9-15(27)7-13-8-17(25)18(26)10-16(13)24;21-12-1-2-15(22)11(5-12)6-13(26)8-17(29)28-4-3-10-7-14(19(30)31)18(20(23,24)25)27-16(10)9-28;1-11-19-12(3-2-5-24-19)4-6-25(11)18(26)9-14(23)7-13-8-16(21)17(22)10-15(13)20;1-10-18-16(23-3-4-24-18)2-5-25(10)17(26)8-12(22)6-11-7-14(20)15(21)9-13(11)19/h4-5,8,10,16H,6-7,9,11-12,30H2,1-3H3,(H,32,35);1-4,8,10,15H,5-7,9,11,27H2;1-2,5,7,13H,3-4,6,8-9,26H2,(H,30,31);2-3,5,8,10-11,14H,4,6-7,9,23H2,1H3;3-4,7,9-10,12H,2,5-6,8,22H2,1H3/t16-;15-;13-;11?,14-;10?,12-/m11111/s1
• InChIKey: JDGMFQMKTRDUQZ-UUSRDAIKSA-N
• XLogP: 14.82
• TPSA: 401.17 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 20
• Rotatable Bonds: 23
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2115.04
LogP ≤ 5	14.82
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-N-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide;7-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-2-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxylic acid;(3R)-3-amino-1-[3-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[3,4-e][1,2,4]triazin-6-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-(8-methyl-6,8-dihydro-5H-1,7-naphthyridin-7-yl)-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-(5-methyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)-4-(2,4,5-trifluorophenyl)butan-1-one?

The IUPAC name of 7-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-N-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide;7-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-2-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxylic acid;(3R)-3-amino-1-[3-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[3,4-e][1,2,4]triazin-6-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-(8-methyl-6,8-dihydro-5H-1,7-naphthyridin-7-yl)-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-(5-methyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)-4-(2,4,5-trifluorophenyl)butan-1-one (CID 158883004) is 7-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-N-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide;7-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-2-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxylic acid;(3R)-3-amino-1-[3-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[3,4-e][1,2,4]triazin-6-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-(8-methyl-6,8-dihydro-5H-1,7-naphthyridin-7-yl)-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-(5-methyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)-4-(2,4,5-trifluorophenyl)butan-1-one.

What is the SMILES notation for 7-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-N-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide;7-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-2-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxylic acid;(3R)-3-amino-1-[3-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[3,4-e][1,2,4]triazin-6-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-(8-methyl-6,8-dihydro-5H-1,7-naphthyridin-7-yl)-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-(5-methyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)-4-(2,4,5-trifluorophenyl)butan-1-one?

The canonical SMILES for 7-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-N-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide;7-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-2-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxylic acid;(3R)-3-amino-1-[3-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[3,4-e][1,2,4]triazin-6-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-(8-methyl-6,8-dihydro-5H-1,7-naphthyridin-7-yl)-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-(5-methyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)-4-(2,4,5-trifluorophenyl)butan-1-one is CC(C)(C)NC(=O)c1cc2c(nc1C(F)(F)F)CN(C(=O)C[C@H](N)Cc1cc(F)ccc1F)CC2.CC1c2ncccc2CCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F.CC1c2nccnc2CCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F.N[C@@H](CC(=O)N1CCc2cc(C(=O)O)c(C(F)(F)F)nc2C1)Cc1cc(F)ccc1F.N[C@@H](CC(=O)N1CCc2nnc(-c3ccc(F)cc3)nc2C1)Cc1cc(F)c(F)cc1F.

What is the InChIKey of 7-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-N-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide;7-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-2-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxylic acid;(3R)-3-amino-1-[3-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[3,4-e][1,2,4]triazin-6-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-(8-methyl-6,8-dihydro-5H-1,7-naphthyridin-7-yl)-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-(5-methyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)-4-(2,4,5-trifluorophenyl)butan-1-one?

The InChIKey is JDGMFQMKTRDUQZ-UUSRDAIKSA-N. The full InChI is InChI=1S/C24H27F5N4O2.C22H19F4N5O.C20H18F5N3O3.C19H20F3N3O.C18H19F3N4O/c1-23(2,3)32-22(35)17-10-13-6-7-33(12-19(13)31-21(17)24(27,28)29)20(34)11-16(30)9-14-8-15(25)4-5-18(14)26;23-14-3-1-12(2-4-14)22-28-20-11-31(6-5-19(20)29-30-22)21(32)9-15(27)7-13-8-17(25)18(26)10-16(13)24;21-12-1-2-15(22)11(5-12)6-13(26)8-17(29)28-4-3-10-7-14(19(30)31)18(20(23,24)25)27-16(10)9-28;1-11-19-12(3-2-5-24-19)4-6-25(11)18(26)9-14(23)7-13-8-16(21)17(22)10-15(13)20;1-10-18-16(23-3-4-24-18)2-5-25(10)17(26)8-12(22)6-11-7-14(20)15(21)9-13(11)19/h4-5,8,10,16H,6-7,9,11-12,30H2,1-3H3,(H,32,35);1-4,8,10,15H,5-7,9,11,27H2;1-2,5,7,13H,3-4,6,8-9,26H2,(H,30,31);2-3,5,8,10-11,14H,4,6-7,9,23H2,1H3;3-4,7,9-10,12H,2,5-6,8,22H2,1H3/t16-;15-;13-;11?,14-;10?,12-/m11111/s1.

What are the key properties of 7-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-N-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide;7-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-2-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxylic acid;(3R)-3-amino-1-[3-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[3,4-e][1,2,4]triazin-6-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-(8-methyl-6,8-dihydro-5H-1,7-naphthyridin-7-yl)-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-(5-methyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)-4-(2,4,5-trifluorophenyl)butan-1-one?

7-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-N-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide;7-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-2-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxylic acid;(3R)-3-amino-1-[3-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[3,4-e][1,2,4]triazin-6-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-(8-methyl-6,8-dihydro-5H-1,7-naphthyridin-7-yl)-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-(5-methyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)-4-(2,4,5-trifluorophenyl)butan-1-one has a molecular weight of 2115.04 g/mol, XLogP of 14.82, 23 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-N-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide;7-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-2-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxylic acid;(3R)-3-amino-1-[3-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[3,4-e][1,2,4]triazin-6-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-(8-methyl-6,8-dihydro-5H-1,7-naphthyridin-7-yl)-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-(5-methyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)-4-(2,4,5-trifluorophenyl)butan-1-one is sourced from PubChem (CID 158883004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158883004 — identifiers, structure, computed properties (public domain)

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