N-[[(7S)-6-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-7-yl]methyl]cyclopropanesulfonamide;N-[[(6S)-5-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methyl]cyclopropanesulfonamide;N-[[(6S)-5-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methyl]cyclopropanesulfonamide;N-[[(6S)-5-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-6-yl]methyl]cyclopropanesulfonamide

C83H101F12N21O12S4 — CID 158055065

About N-[[(7S)-6-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-7-yl]methyl]cyclopropanesulfonamide;N-[[(6S)-5-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methyl]cyclopropanesulfonamide;N-[[(6S)-5-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methyl]cyclopropanesulfonamide;N-[[(6S)-5-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-6-yl]methyl]cyclopropanesulfonamide

N-[[(7S)-6-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-7-yl]methyl]cyclopropanesulfonamide;N-[[(6S)-5-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methyl]cyclopropanesulfonamide;N-[[(6S)-5-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methyl]cyclopropanesulfonamide;N-[[(6S)-5-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-6-yl]methyl]cyclopropanesulfonamide (PubChem CID 158055065) has the molecular formula C83H101F12N21O12S4 and a molecular weight of 1941.10 g/mol. Its IUPAC name is N-[[(7S)-6-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-7-yl]methyl]cyclopropanesulfonamide;N-[[(6S)-5-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methyl]cyclopropanesulfonamide;N-[[(6S)-5-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methyl]cyclopropanesulfonamide;N-[[(6S)-5-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-6-yl]methyl]cyclopropanesulfonamide.

Molecular Properties

• Compound Name: N-[[(7S)-6-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-7-yl]methyl]cyclopropanesulfonamide;N-[[(6S)-5-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methyl]cyclopropanesulfonamide;N-[[(6S)-5-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methyl]cyclopropanesulfonamide;N-[[(6S)-5-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-6-yl]methyl]cyclopropanesulfonamide
• PubChem CID: 158055065
• Molecular Formula: C83H101F12N21O12S4
• Molecular Weight: 1941.10 g/mol
• Exact Mass: 1939.66
• IUPAC Name: N-[[(7S)-6-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-7-yl]methyl]cyclopropanesulfonamide;N-[[(6S)-5-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methyl]cyclopropanesulfonamide;N-[[(6S)-5-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methyl]cyclopropanesulfonamide;N-[[(6S)-5-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-6-yl]methyl]cyclopropanesulfonamide
• SMILES: Cn1cnc2c1CN(C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)[C@H](CNS(=O)(=O)C1CC1)C2.Cn1cnc2c1C[C@@H](CNS(=O)(=O)C1CC1)N(C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)C2.Cn1nnc2c1C[C@@H](CNS(=O)(=O)C1CC1)N(C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)C2.N[C@@H](CC(=O)N1Cc2nccnc2C[C@H]1CNS(=O)(=O)C1CC1)Cc1cc(F)c(F)cc1F
• InChI: InChI=1S/2C21H26F3N5O3S.C21H24F3N5O3S.C20H25F3N6O3S/c1-28-11-26-19-10-29(14(7-20(19)28)9-27-33(31,32)15-2-3-15)21(30)6-13(25)4-12-5-17(23)18(24)8-16(12)22;1-28-11-26-19-7-14(9-27-33(31,32)15-2-3-15)29(10-20(19)28)21(30)6-13(25)4-12-5-17(23)18(24)8-16(12)22;22-16-9-18(24)17(23)6-12(16)5-13(25)7-21(30)29-11-20-19(26-3-4-27-20)8-14(29)10-28-33(31,32)15-1-2-15;1-28-19-7-13(9-25-33(31,32)14-2-3-14)29(10-18(19)26-27-28)20(30)6-12(24)4-11-5-16(22)17(23)8-15(11)21/h2*5,8,11,13-15,27H,2-4,6-7,9-10,25H2,1H3;3-4,6,9,13-15,28H,1-2,5,7-8,10-11,25H2;5,8,12-14,25H,2-4,6-7,9-10,24H2,1H3/t3*13-,14+;12-,13+/m1111/s1
• InChIKey: FJYHLMMKSHBSOY-SFCSVNRSSA-N
• XLogP: 3.98
• TPSA: 462.13 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 25
• Rotatable Bonds: 32
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1941.10
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	25

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]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-7-yl]methyl]cyclopropanesulfonamide;N-[[(6S)-5-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methyl]cyclopropanesulfonamide;N-[[(6S)-5-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methyl]cyclopropanesulfonamide;N-[[(6S)-5-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-6-yl]methyl]cyclopropanesulfonamide?

The IUPAC name of N-[[(7S)-6-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-7-yl]methyl]cyclopropanesulfonamide;N-[[(6S)-5-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methyl]cyclopropanesulfonamide;N-[[(6S)-5-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methyl]cyclopropanesulfonamide;N-[[(6S)-5-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-6-yl]methyl]cyclopropanesulfonamide (CID 158055065) is N-[[(7S)-6-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-7-yl]methyl]cyclopropanesulfonamide;N-[[(6S)-5-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methyl]cyclopropanesulfonamide;N-[[(6S)-5-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methyl]cyclopropanesulfonamide;N-[[(6S)-5-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-6-yl]methyl]cyclopropanesulfonamide.

What is the SMILES notation for N-[[(7S)-6-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-7-yl]methyl]cyclopropanesulfonamide;N-[[(6S)-5-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methyl]cyclopropanesulfonamide;N-[[(6S)-5-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methyl]cyclopropanesulfonamide;N-[[(6S)-5-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-6-yl]methyl]cyclopropanesulfonamide?

The canonical SMILES for N-[[(7S)-6-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-7-yl]methyl]cyclopropanesulfonamide;N-[[(6S)-5-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methyl]cyclopropanesulfonamide;N-[[(6S)-5-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methyl]cyclopropanesulfonamide;N-[[(6S)-5-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-6-yl]methyl]cyclopropanesulfonamide is Cn1cnc2c1CN(C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)[C@H](CNS(=O)(=O)C1CC1)C2.Cn1cnc2c1C[C@@H](CNS(=O)(=O)C1CC1)N(C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)C2.Cn1nnc2c1C[C@@H](CNS(=O)(=O)C1CC1)N(C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)C2.N[C@@H](CC(=O)N1Cc2nccnc2C[C@H]1CNS(=O)(=O)C1CC1)Cc1cc(F)c(F)cc1F.

What is the InChIKey of N-[[(7S)-6-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-7-yl]methyl]cyclopropanesulfonamide;N-[[(6S)-5-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methyl]cyclopropanesulfonamide;N-[[(6S)-5-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methyl]cyclopropanesulfonamide;N-[[(6S)-5-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-6-yl]methyl]cyclopropanesulfonamide?

The InChIKey is FJYHLMMKSHBSOY-SFCSVNRSSA-N. The full InChI is InChI=1S/2C21H26F3N5O3S.C21H24F3N5O3S.C20H25F3N6O3S/c1-28-11-26-19-10-29(14(7-20(19)28)9-27-33(31,32)15-2-3-15)21(30)6-13(25)4-12-5-17(23)18(24)8-16(12)22;1-28-11-26-19-7-14(9-27-33(31,32)15-2-3-15)29(10-20(19)28)21(30)6-13(25)4-12-5-17(23)18(24)8-16(12)22;22-16-9-18(24)17(23)6-12(16)5-13(25)7-21(30)29-11-20-19(26-3-4-27-20)8-14(29)10-28-33(31,32)15-1-2-15;1-28-19-7-13(9-25-33(31,32)14-2-3-14)29(10-18(19)26-27-28)20(30)6-12(24)4-11-5-16(22)17(23)8-15(11)21/h2*5,8,11,13-15,27H,2-4,6-7,9-10,25H2,1H3;3-4,6,9,13-15,28H,1-2,5,7-8,10-11,25H2;5,8,12-14,25H,2-4,6-7,9-10,24H2,1H3/t3*13-,14+;12-,13+/m1111/s1.

What are the key properties of N-[[(7S)-6-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-7-yl]methyl]cyclopropanesulfonamide;N-[[(6S)-5-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methyl]cyclopropanesulfonamide;N-[[(6S)-5-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methyl]cyclopropanesulfonamide;N-[[(6S)-5-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-6-yl]methyl]cyclopropanesulfonamide?

N-[[(7S)-6-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-7-yl]methyl]cyclopropanesulfonamide;N-[[(6S)-5-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methyl]cyclopropanesulfonamide;N-[[(6S)-5-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methyl]cyclopropanesulfonamide;N-[[(6S)-5-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-6-yl]methyl]cyclopropanesulfonamide has a molecular weight of 1941.10 g/mol, XLogP of 3.98, 32 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(7S)-6-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-7-yl]methyl]cyclopropanesulfonamide;N-[[(6S)-5-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methyl]cyclopropanesulfonamide;N-[[(6S)-5-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methyl]cyclopropanesulfonamide;N-[[(6S)-5-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-6-yl]methyl]cyclopropanesulfonamide is sourced from PubChem (CID 158055065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).