(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(2,3-difluoro-4-methylphenyl)pentanoyl]-N-methyl-N-(1-methylpyrazol-4-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(4-fluoro-2,3-dimethylphenyl)pentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxo-1-[(3S)-3-(2,3,4-trifluorophenyl)pentanoyl]azetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxo-1-[(3S)-3-(2,3,4-trimethylphenyl)pentanoyl]azetidine-2-carboxamide

C110H126F6N24O12 — CID 157378026

About (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(2,3-difluoro-4-methylphenyl)pentanoyl]-N-methyl-N-(1-methylpyrazol-4-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(4-fluoro-2,3-dimethylphenyl)pentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxo-1-[(3S)-3-(2,3,4-trifluorophenyl)pentanoyl]azetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxo-1-[(3S)-3-(2,3,4-trimethylphenyl)pentanoyl]azetidine-2-carboxamide

(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(2,3-difluoro-4-methylphenyl)pentanoyl]-N-methyl-N-(1-methylpyrazol-4-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(4-fluoro-2,3-dimethylphenyl)pentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxo-1-[(3S)-3-(2,3,4-trifluorophenyl)pentanoyl]azetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxo-1-[(3S)-3-(2,3,4-trimethylphenyl)pentanoyl]azetidine-2-carboxamide (PubChem CID 157378026) has the molecular formula C110H126F6N24O12 and a molecular weight of 2090.36 g/mol. Its IUPAC name is (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(2,3-difluoro-4-methylphenyl)pentanoyl]-N-methyl-N-(1-methylpyrazol-4-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(4-fluoro-2,3-dimethylphenyl)pentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxo-1-[(3S)-3-(2,3,4-trifluorophenyl)pentanoyl]azetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxo-1-[(3S)-3-(2,3,4-trimethylphenyl)pentanoyl]azetidine-2-carboxamide.

Molecular Properties

• Compound Name: (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(2,3-difluoro-4-methylphenyl)pentanoyl]-N-methyl-N-(1-methylpyrazol-4-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(4-fluoro-2,3-dimethylphenyl)pentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxo-1-[(3S)-3-(2,3,4-trifluorophenyl)pentanoyl]azetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxo-1-[(3S)-3-(2,3,4-trimethylphenyl)pentanoyl]azetidine-2-carboxamide
• PubChem CID: 157378026
• Molecular Formula: C110H126F6N24O12
• Molecular Weight: 2090.36 g/mol
• Exact Mass: 2088.99
• IUPAC Name: (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(2,3-difluoro-4-methylphenyl)pentanoyl]-N-methyl-N-(1-methylpyrazol-4-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(4-fluoro-2,3-dimethylphenyl)pentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxo-1-[(3S)-3-(2,3,4-trifluorophenyl)pentanoyl]azetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxo-1-[(3S)-3-(2,3,4-trimethylphenyl)pentanoyl]azetidine-2-carboxamide
• SMILES: CC[C@@H](CC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)N(C)c1cnn(C)c1)c1ccc(C)c(F)c1F.CC[C@@H](CC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)N(C)c1nccn1C)c1ccc(C)c(C)c1C.CC[C@@H](CC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)N(C)c1nccn1C)c1ccc(F)c(C)c1C.CC[C@@H](CC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)N(C)c1nccn1C)c1ccc(F)c(F)c1F
• InChI: InChI=1S/C29H36N6O3.C28H33FN6O3.C27H30F2N6O3.C26H27F3N6O3/c1-7-21(22-9-8-17(2)18(3)19(22)4)16-25(36)35-26(28(38)34(6)29-32-12-13-33(29)5)23(27(35)37)14-20-10-11-31-24(30)15-20;1-6-19(20-7-8-22(29)17(3)16(20)2)15-24(36)35-25(27(38)34(5)28-32-11-12-33(28)4)21(26(35)37)13-18-9-10-31-23(30)14-18;1-5-17(19-7-6-15(2)23(28)24(19)29)12-22(36)35-25(27(38)34(4)18-13-32-33(3)14-18)20(26(35)37)10-16-8-9-31-21(30)11-16;1-4-15(16-5-6-18(27)22(29)21(16)28)13-20(36)35-23(25(38)34(3)26-32-9-10-33(26)2)17(24(35)37)11-14-7-8-31-19(30)12-14/h8-13,15,21,23,26H,7,14,16H2,1-6H3,(H2,30,31);7-12,14,19,21,25H,6,13,15H2,1-5H3,(H2,30,31);6-9,11,13-14,17,20,25H,5,10,12H2,1-4H3,(H2,30,31);5-10,12,15,17,23H,4,11,13H2,1-3H3,(H2,30,31)/t21-,23+,26-;19-,21+,25-;17-,20+,25-;15-,17+,23-/m0000/s1
• InChIKey: BKNSJBCSLRZZKG-PYNBOTJUSA-N
• XLogP: 12.85
• TPSA: 457.68 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 32
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2090.36
LogP ≤ 5	12.85
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(2,3-difluoro-4-methylphenyl)pentanoyl]-N-methyl-N-(1-methylpyrazol-4-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(4-fluoro-2,3-dimethylphenyl)pentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxo-1-[(3S)-3-(2,3,4-trifluorophenyl)pentanoyl]azetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxo-1-[(3S)-3-(2,3,4-trimethylphenyl)pentanoyl]azetidine-2-carboxamide?

The IUPAC name of (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(2,3-difluoro-4-methylphenyl)pentanoyl]-N-methyl-N-(1-methylpyrazol-4-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(4-fluoro-2,3-dimethylphenyl)pentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxo-1-[(3S)-3-(2,3,4-trifluorophenyl)pentanoyl]azetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxo-1-[(3S)-3-(2,3,4-trimethylphenyl)pentanoyl]azetidine-2-carboxamide (CID 157378026) is (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(2,3-difluoro-4-methylphenyl)pentanoyl]-N-methyl-N-(1-methylpyrazol-4-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(4-fluoro-2,3-dimethylphenyl)pentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxo-1-[(3S)-3-(2,3,4-trifluorophenyl)pentanoyl]azetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxo-1-[(3S)-3-(2,3,4-trimethylphenyl)pentanoyl]azetidine-2-carboxamide.

What is the SMILES notation for (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(2,3-difluoro-4-methylphenyl)pentanoyl]-N-methyl-N-(1-methylpyrazol-4-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(4-fluoro-2,3-dimethylphenyl)pentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxo-1-[(3S)-3-(2,3,4-trifluorophenyl)pentanoyl]azetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxo-1-[(3S)-3-(2,3,4-trimethylphenyl)pentanoyl]azetidine-2-carboxamide?

The canonical SMILES for (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(2,3-difluoro-4-methylphenyl)pentanoyl]-N-methyl-N-(1-methylpyrazol-4-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(4-fluoro-2,3-dimethylphenyl)pentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxo-1-[(3S)-3-(2,3,4-trifluorophenyl)pentanoyl]azetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxo-1-[(3S)-3-(2,3,4-trimethylphenyl)pentanoyl]azetidine-2-carboxamide is CC[C@@H](CC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)N(C)c1cnn(C)c1)c1ccc(C)c(F)c1F.CC[C@@H](CC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)N(C)c1nccn1C)c1ccc(C)c(C)c1C.CC[C@@H](CC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)N(C)c1nccn1C)c1ccc(F)c(C)c1C.CC[C@@H](CC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)N(C)c1nccn1C)c1ccc(F)c(F)c1F.

What is the InChIKey of (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(2,3-difluoro-4-methylphenyl)pentanoyl]-N-methyl-N-(1-methylpyrazol-4-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(4-fluoro-2,3-dimethylphenyl)pentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxo-1-[(3S)-3-(2,3,4-trifluorophenyl)pentanoyl]azetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxo-1-[(3S)-3-(2,3,4-trimethylphenyl)pentanoyl]azetidine-2-carboxamide?

The InChIKey is BKNSJBCSLRZZKG-PYNBOTJUSA-N. The full InChI is InChI=1S/C29H36N6O3.C28H33FN6O3.C27H30F2N6O3.C26H27F3N6O3/c1-7-21(22-9-8-17(2)18(3)19(22)4)16-25(36)35-26(28(38)34(6)29-32-12-13-33(29)5)23(27(35)37)14-20-10-11-31-24(30)15-20;1-6-19(20-7-8-22(29)17(3)16(20)2)15-24(36)35-25(27(38)34(5)28-32-11-12-33(28)4)21(26(35)37)13-18-9-10-31-23(30)14-18;1-5-17(19-7-6-15(2)23(28)24(19)29)12-22(36)35-25(27(38)34(4)18-13-32-33(3)14-18)20(26(35)37)10-16-8-9-31-21(30)11-16;1-4-15(16-5-6-18(27)22(29)21(16)28)13-20(36)35-23(25(38)34(3)26-32-9-10-33(26)2)17(24(35)37)11-14-7-8-31-19(30)12-14/h8-13,15,21,23,26H,7,14,16H2,1-6H3,(H2,30,31);7-12,14,19,21,25H,6,13,15H2,1-5H3,(H2,30,31);6-9,11,13-14,17,20,25H,5,10,12H2,1-4H3,(H2,30,31);5-10,12,15,17,23H,4,11,13H2,1-3H3,(H2,30,31)/t21-,23+,26-;19-,21+,25-;17-,20+,25-;15-,17+,23-/m0000/s1.

What are the key properties of (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(2,3-difluoro-4-methylphenyl)pentanoyl]-N-methyl-N-(1-methylpyrazol-4-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(4-fluoro-2,3-dimethylphenyl)pentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxo-1-[(3S)-3-(2,3,4-trifluorophenyl)pentanoyl]azetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxo-1-[(3S)-3-(2,3,4-trimethylphenyl)pentanoyl]azetidine-2-carboxamide?

(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(2,3-difluoro-4-methylphenyl)pentanoyl]-N-methyl-N-(1-methylpyrazol-4-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(4-fluoro-2,3-dimethylphenyl)pentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxo-1-[(3S)-3-(2,3,4-trifluorophenyl)pentanoyl]azetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxo-1-[(3S)-3-(2,3,4-trimethylphenyl)pentanoyl]azetidine-2-carboxamide has a molecular weight of 2090.36 g/mol, XLogP of 12.85, 32 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(2,3-difluoro-4-methylphenyl)pentanoyl]-N-methyl-N-(1-methylpyrazol-4-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(4-fluoro-2,3-dimethylphenyl)pentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxo-1-[(3S)-3-(2,3,4-trifluorophenyl)pentanoyl]azetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxo-1-[(3S)-3-(2,3,4-trimethylphenyl)pentanoyl]azetidine-2-carboxamide is sourced from PubChem (CID 157378026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).