N-[[(7S)-6-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2-methyl-7,8-dihydro-5H-1,6-naphthyridin-7-yl]methyl]cyclopropanesulfonamide;N-[[(7S)-6-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-7-yl]methyl]methanesulfonamide;N-[[(6S)-7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-6-yl]methyl]-2,2,2-trifluoroethanesulfonamide;N-[[(6S)-7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-methyl-6,8-dihydro-5H-pyrido[4,3-e][1,2,4]triazin-6-yl]methyl]cyclopropanesulfonamide

C85H99F15N20O12S4 — CID 157345782

About N-[[(7S)-6-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2-methyl-7,8-dihydro-5H-1,6-naphthyridin-7-yl]methyl]cyclopropanesulfonamide;N-[[(7S)-6-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-7-yl]methyl]methanesulfonamide;N-[[(6S)-7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-6-yl]methyl]-2,2,2-trifluoroethanesulfonamide;N-[[(6S)-7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-methyl-6,8-dihydro-5H-pyrido[4,3-e][1,2,4]triazin-6-yl]methyl]cyclopropanesulfonamide

N-[[(7S)-6-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2-methyl-7,8-dihydro-5H-1,6-naphthyridin-7-yl]methyl]cyclopropanesulfonamide;N-[[(7S)-6-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-7-yl]methyl]methanesulfonamide;N-[[(6S)-7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-6-yl]methyl]-2,2,2-trifluoroethanesulfonamide;N-[[(6S)-7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-methyl-6,8-dihydro-5H-pyrido[4,3-e][1,2,4]triazin-6-yl]methyl]cyclopropanesulfonamide (PubChem CID 157345782) has the molecular formula C85H99F15N20O12S4 and a molecular weight of 2006.09 g/mol. Its IUPAC name is N-[[(7S)-6-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2-methyl-7,8-dihydro-5H-1,6-naphthyridin-7-yl]methyl]cyclopropanesulfonamide;N-[[(7S)-6-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-7-yl]methyl]methanesulfonamide;N-[[(6S)-7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-6-yl]methyl]-2,2,2-trifluoroethanesulfonamide;N-[[(6S)-7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-methyl-6,8-dihydro-5H-pyrido[4,3-e][1,2,4]triazin-6-yl]methyl]cyclopropanesulfonamide.

Molecular Properties

• Compound Name: N-[[(7S)-6-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2-methyl-7,8-dihydro-5H-1,6-naphthyridin-7-yl]methyl]cyclopropanesulfonamide;N-[[(7S)-6-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-7-yl]methyl]methanesulfonamide;N-[[(6S)-7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-6-yl]methyl]-2,2,2-trifluoroethanesulfonamide;N-[[(6S)-7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-methyl-6,8-dihydro-5H-pyrido[4,3-e][1,2,4]triazin-6-yl]methyl]cyclopropanesulfonamide
• PubChem CID: 157345782
• Molecular Formula: C85H99F15N20O12S4
• Molecular Weight: 2006.09 g/mol
• Exact Mass: 2004.64
• IUPAC Name: N-[[(7S)-6-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2-methyl-7,8-dihydro-5H-1,6-naphthyridin-7-yl]methyl]cyclopropanesulfonamide;N-[[(7S)-6-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-7-yl]methyl]methanesulfonamide;N-[[(6S)-7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-6-yl]methyl]-2,2,2-trifluoroethanesulfonamide;N-[[(6S)-7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-methyl-6,8-dihydro-5H-pyrido[4,3-e][1,2,4]triazin-6-yl]methyl]cyclopropanesulfonamide
• SMILES: Cc1ccc2c(n1)C[C@@H](CNS(=O)(=O)C1CC1)N(C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)C2.Cc1ncc2c(n1)CN(C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)[C@H](CNS(=O)(=O)CC(F)(F)F)C2.Cc1ncc2c(n1)C[C@@H](CNS(C)(=O)=O)N(C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)C2.Cc1nnc2c(n1)C[C@@H](CNS(=O)(=O)C1CC1)N(C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)C2
• InChI: InChI=1S/C23H27F3N4O3S.C21H23F6N5O3S.C21H25F3N6O3S.C20H24F3N5O3S/c1-13-2-3-14-12-30(17(9-22(14)29-13)11-28-34(32,33)18-4-5-18)23(31)8-16(27)6-15-7-20(25)21(26)10-19(15)24;1-11-29-7-13-3-15(8-30-36(34,35)10-21(25,26)27)32(9-19(13)31-11)20(33)5-14(28)2-12-4-17(23)18(24)6-16(12)22;1-11-27-19-7-14(9-26-34(32,33)15-2-3-15)30(10-20(19)29-28-11)21(31)6-13(25)4-12-5-17(23)18(24)8-16(12)22;1-11-25-8-13-10-28(15(6-19(13)27-11)9-26-32(2,30)31)20(29)5-14(24)3-12-4-17(22)18(23)7-16(12)21/h2-3,7,10,16-18,28H,4-6,8-9,11-12,27H2,1H3;4,6-7,14-15,30H,2-3,5,8-10,28H2,1H3;5,8,13-15,26H,2-4,6-7,9-10,25H2,1H3;4,7-8,14-15,26H,3,5-6,9-10,24H2,1-2H3/t16-,17+;14-,15+;13-,14+;14-,15+/m1111/s1
• InChIKey: BGYIGRDFHCFALX-APTUSXPFSA-N
• XLogP: 5.86
• TPSA: 473.12 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 31
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2006.09
LogP ≤ 5	5.86
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[(7S)-6-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2-methyl-7,8-dihydro-5H-1,6-naphthyridin-7-yl]methyl]cyclopropanesulfonamide;N-[[(7S)-6-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-7-yl]methyl]methanesulfonamide;N-[[(6S)-7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-6-yl]methyl]-2,2,2-trifluoroethanesulfonamide;N-[[(6S)-7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-methyl-6,8-dihydro-5H-pyrido[4,3-e][1,2,4]triazin-6-yl]methyl]cyclopropanesulfonamide?

The IUPAC name of N-[[(7S)-6-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2-methyl-7,8-dihydro-5H-1,6-naphthyridin-7-yl]methyl]cyclopropanesulfonamide;N-[[(7S)-6-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-7-yl]methyl]methanesulfonamide;N-[[(6S)-7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-6-yl]methyl]-2,2,2-trifluoroethanesulfonamide;N-[[(6S)-7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-methyl-6,8-dihydro-5H-pyrido[4,3-e][1,2,4]triazin-6-yl]methyl]cyclopropanesulfonamide (CID 157345782) is N-[[(7S)-6-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2-methyl-7,8-dihydro-5H-1,6-naphthyridin-7-yl]methyl]cyclopropanesulfonamide;N-[[(7S)-6-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-7-yl]methyl]methanesulfonamide;N-[[(6S)-7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-6-yl]methyl]-2,2,2-trifluoroethanesulfonamide;N-[[(6S)-7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-methyl-6,8-dihydro-5H-pyrido[4,3-e][1,2,4]triazin-6-yl]methyl]cyclopropanesulfonamide.

What is the SMILES notation for N-[[(7S)-6-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2-methyl-7,8-dihydro-5H-1,6-naphthyridin-7-yl]methyl]cyclopropanesulfonamide;N-[[(7S)-6-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-7-yl]methyl]methanesulfonamide;N-[[(6S)-7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-6-yl]methyl]-2,2,2-trifluoroethanesulfonamide;N-[[(6S)-7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-methyl-6,8-dihydro-5H-pyrido[4,3-e][1,2,4]triazin-6-yl]methyl]cyclopropanesulfonamide?

The canonical SMILES for N-[[(7S)-6-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2-methyl-7,8-dihydro-5H-1,6-naphthyridin-7-yl]methyl]cyclopropanesulfonamide;N-[[(7S)-6-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-7-yl]methyl]methanesulfonamide;N-[[(6S)-7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-6-yl]methyl]-2,2,2-trifluoroethanesulfonamide;N-[[(6S)-7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-methyl-6,8-dihydro-5H-pyrido[4,3-e][1,2,4]triazin-6-yl]methyl]cyclopropanesulfonamide is Cc1ccc2c(n1)C[C@@H](CNS(=O)(=O)C1CC1)N(C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)C2.Cc1ncc2c(n1)CN(C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)[C@H](CNS(=O)(=O)CC(F)(F)F)C2.Cc1ncc2c(n1)C[C@@H](CNS(C)(=O)=O)N(C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)C2.Cc1nnc2c(n1)C[C@@H](CNS(=O)(=O)C1CC1)N(C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)C2.

What is the InChIKey of N-[[(7S)-6-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2-methyl-7,8-dihydro-5H-1,6-naphthyridin-7-yl]methyl]cyclopropanesulfonamide;N-[[(7S)-6-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-7-yl]methyl]methanesulfonamide;N-[[(6S)-7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-6-yl]methyl]-2,2,2-trifluoroethanesulfonamide;N-[[(6S)-7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-methyl-6,8-dihydro-5H-pyrido[4,3-e][1,2,4]triazin-6-yl]methyl]cyclopropanesulfonamide?

The InChIKey is BGYIGRDFHCFALX-APTUSXPFSA-N. The full InChI is InChI=1S/C23H27F3N4O3S.C21H23F6N5O3S.C21H25F3N6O3S.C20H24F3N5O3S/c1-13-2-3-14-12-30(17(9-22(14)29-13)11-28-34(32,33)18-4-5-18)23(31)8-16(27)6-15-7-20(25)21(26)10-19(15)24;1-11-29-7-13-3-15(8-30-36(34,35)10-21(25,26)27)32(9-19(13)31-11)20(33)5-14(28)2-12-4-17(23)18(24)6-16(12)22;1-11-27-19-7-14(9-26-34(32,33)15-2-3-15)30(10-20(19)29-28-11)21(31)6-13(25)4-12-5-17(23)18(24)8-16(12)22;1-11-25-8-13-10-28(15(6-19(13)27-11)9-26-32(2,30)31)20(29)5-14(24)3-12-4-17(22)18(23)7-16(12)21/h2-3,7,10,16-18,28H,4-6,8-9,11-12,27H2,1H3;4,6-7,14-15,30H,2-3,5,8-10,28H2,1H3;5,8,13-15,26H,2-4,6-7,9-10,25H2,1H3;4,7-8,14-15,26H,3,5-6,9-10,24H2,1-2H3/t16-,17+;14-,15+;13-,14+;14-,15+/m1111/s1.

What are the key properties of N-[[(7S)-6-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2-methyl-7,8-dihydro-5H-1,6-naphthyridin-7-yl]methyl]cyclopropanesulfonamide;N-[[(7S)-6-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-7-yl]methyl]methanesulfonamide;N-[[(6S)-7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-6-yl]methyl]-2,2,2-trifluoroethanesulfonamide;N-[[(6S)-7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-methyl-6,8-dihydro-5H-pyrido[4,3-e][1,2,4]triazin-6-yl]methyl]cyclopropanesulfonamide?

N-[[(7S)-6-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2-methyl-7,8-dihydro-5H-1,6-naphthyridin-7-yl]methyl]cyclopropanesulfonamide;N-[[(7S)-6-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-7-yl]methyl]methanesulfonamide;N-[[(6S)-7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-6-yl]methyl]-2,2,2-trifluoroethanesulfonamide;N-[[(6S)-7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-methyl-6,8-dihydro-5H-pyrido[4,3-e][1,2,4]triazin-6-yl]methyl]cyclopropanesulfonamide has a molecular weight of 2006.09 g/mol, XLogP of 5.86, 31 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(7S)-6-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2-methyl-7,8-dihydro-5H-1,6-naphthyridin-7-yl]methyl]cyclopropanesulfonamide;N-[[(7S)-6-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-7-yl]methyl]methanesulfonamide;N-[[(6S)-7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-6-yl]methyl]-2,2,2-trifluoroethanesulfonamide;N-[[(6S)-7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-methyl-6,8-dihydro-5H-pyrido[4,3-e][1,2,4]triazin-6-yl]methyl]cyclopropanesulfonamide is sourced from PubChem (CID 157345782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).