(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1R)-1-(3-chlorophenyl)propyl]-2-N-methyl-2-N-(2-methylpyrazol-3-yl)-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylpyrazol-3-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide;(2S,3R)-1-[(3S)-3-cyclohexyl-4,4,4-trifluorobutanoyl]-N-methyl-N-(2-methylpyrazol-3-yl)-4-oxo-3-[(2-propan-2-yl-4-pyridinyl)methyl]azetidine-2-carboxamide;(2S,3R)-N-methyl-N-(1-methylpyrazol-4-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]-3-[(2-propan-2-yl-4-pyridinyl)methyl]azetidine-2-carboxamide

C108H129ClF3N23O12 — CID 159224415

About (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1R)-1-(3-chlorophenyl)propyl]-2-N-methyl-2-N-(2-methylpyrazol-3-yl)-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylpyrazol-3-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide;(2S,3R)-1-[(3S)-3-cyclohexyl-4,4,4-trifluorobutanoyl]-N-methyl-N-(2-methylpyrazol-3-yl)-4-oxo-3-[(2-propan-2-yl-4-pyridinyl)methyl]azetidine-2-carboxamide;(2S,3R)-N-methyl-N-(1-methylpyrazol-4-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]-3-[(2-propan-2-yl-4-pyridinyl)methyl]azetidine-2-carboxamide

(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1R)-1-(3-chlorophenyl)propyl]-2-N-methyl-2-N-(2-methylpyrazol-3-yl)-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylpyrazol-3-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide;(2S,3R)-1-[(3S)-3-cyclohexyl-4,4,4-trifluorobutanoyl]-N-methyl-N-(2-methylpyrazol-3-yl)-4-oxo-3-[(2-propan-2-yl-4-pyridinyl)methyl]azetidine-2-carboxamide;(2S,3R)-N-methyl-N-(1-methylpyrazol-4-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]-3-[(2-propan-2-yl-4-pyridinyl)methyl]azetidine-2-carboxamide (PubChem CID 159224415) has the molecular formula C108H129ClF3N23O12 and a molecular weight of 2033.82 g/mol. Its IUPAC name is (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1R)-1-(3-chlorophenyl)propyl]-2-N-methyl-2-N-(2-methylpyrazol-3-yl)-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylpyrazol-3-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide;(2S,3R)-1-[(3S)-3-cyclohexyl-4,4,4-trifluorobutanoyl]-N-methyl-N-(2-methylpyrazol-3-yl)-4-oxo-3-[(2-propan-2-yl-4-pyridinyl)methyl]azetidine-2-carboxamide;(2S,3R)-N-methyl-N-(1-methylpyrazol-4-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]-3-[(2-propan-2-yl-4-pyridinyl)methyl]azetidine-2-carboxamide.

Molecular Properties

• Compound Name: (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1R)-1-(3-chlorophenyl)propyl]-2-N-methyl-2-N-(2-methylpyrazol-3-yl)-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylpyrazol-3-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide;(2S,3R)-1-[(3S)-3-cyclohexyl-4,4,4-trifluorobutanoyl]-N-methyl-N-(2-methylpyrazol-3-yl)-4-oxo-3-[(2-propan-2-yl-4-pyridinyl)methyl]azetidine-2-carboxamide;(2S,3R)-N-methyl-N-(1-methylpyrazol-4-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]-3-[(2-propan-2-yl-4-pyridinyl)methyl]azetidine-2-carboxamide
• PubChem CID: 159224415
• Molecular Formula: C108H129ClF3N23O12
• Molecular Weight: 2033.82 g/mol
• Exact Mass: 2031.98
• IUPAC Name: (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1R)-1-(3-chlorophenyl)propyl]-2-N-methyl-2-N-(2-methylpyrazol-3-yl)-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylpyrazol-3-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide;(2S,3R)-1-[(3S)-3-cyclohexyl-4,4,4-trifluorobutanoyl]-N-methyl-N-(2-methylpyrazol-3-yl)-4-oxo-3-[(2-propan-2-yl-4-pyridinyl)methyl]azetidine-2-carboxamide;(2S,3R)-N-methyl-N-(1-methylpyrazol-4-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]-3-[(2-propan-2-yl-4-pyridinyl)methyl]azetidine-2-carboxamide
• SMILES: CC(C)c1cc(C[C@H]2C(=O)N(C(=O)C[C@@H](C3CCCCC3)C(F)(F)F)[C@@H]2C(=O)N(C)c2ccnn2C)ccn1.CC[C@@H](CC(=O)N1C(=O)[C@H](Cc2ccnc(C(C)C)c2)[C@H]1C(=O)N(C)c1cnn(C)c1)c1ccccc1.CC[C@@H](CC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)N(C)c1ccn(C)n1)c1ccccc1.CC[C@@H](NC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)N(C)c1ccnn1C)c1cccc(Cl)c1
• InChI: InChI=1S/C29H35N5O3.C28H36F3N5O3.C26H30N6O3.C25H28ClN7O3/c1-6-21(22-10-8-7-9-11-22)16-26(35)34-27(29(37)33(5)23-17-31-32(4)18-23)24(28(34)36)14-20-12-13-30-25(15-20)19(2)3;1-17(2)22-15-18(10-12-32-22)14-20-25(27(39)34(3)23-11-13-33-35(23)4)36(26(20)38)24(37)16-21(28(29,30)31)19-8-6-5-7-9-19;1-4-18(19-8-6-5-7-9-19)16-23(33)32-24(26(35)31(3)22-11-13-30(2)29-22)20(25(32)34)14-17-10-12-28-21(27)15-17;1-4-19(16-6-5-7-17(26)14-16)30-25(36)33-22(24(35)31(2)21-9-11-29-32(21)3)18(23(33)34)12-15-8-10-28-20(27)13-15/h7-13,15,17-19,21,24,27H,6,14,16H2,1-5H3;10-13,15,17,19-21,25H,5-9,14,16H2,1-4H3;5-13,15,18,20,24H,4,14,16H2,1-3H3,(H2,27,28);5-11,13-14,18-19,22H,4,12H2,1-3H3,(H2,27,28)(H,30,36)/t21-,24+,27-;20-,21+,25+;18-,20+,24-;18-,19-,22+/m0101/s1
• InChIKey: KSCJDVUGHXXBOG-SXJYLPHMSA-N
• XLogP: 14.21
• TPSA: 417.67 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 26
• Rotatable Bonds: 32
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2033.82
LogP ≤ 5	14.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1R)-1-(3-chlorophenyl)propyl]-2-N-methyl-2-N-(2-methylpyrazol-3-yl)-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylpyrazol-3-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide;(2S,3R)-1-[(3S)-3-cyclohexyl-4,4,4-trifluorobutanoyl]-N-methyl-N-(2-methylpyrazol-3-yl)-4-oxo-3-[(2-propan-2-yl-4-pyridinyl)methyl]azetidine-2-carboxamide;(2S,3R)-N-methyl-N-(1-methylpyrazol-4-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]-3-[(2-propan-2-yl-4-pyridinyl)methyl]azetidine-2-carboxamide?

The IUPAC name of (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1R)-1-(3-chlorophenyl)propyl]-2-N-methyl-2-N-(2-methylpyrazol-3-yl)-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylpyrazol-3-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide;(2S,3R)-1-[(3S)-3-cyclohexyl-4,4,4-trifluorobutanoyl]-N-methyl-N-(2-methylpyrazol-3-yl)-4-oxo-3-[(2-propan-2-yl-4-pyridinyl)methyl]azetidine-2-carboxamide;(2S,3R)-N-methyl-N-(1-methylpyrazol-4-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]-3-[(2-propan-2-yl-4-pyridinyl)methyl]azetidine-2-carboxamide (CID 159224415) is (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1R)-1-(3-chlorophenyl)propyl]-2-N-methyl-2-N-(2-methylpyrazol-3-yl)-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylpyrazol-3-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide;(2S,3R)-1-[(3S)-3-cyclohexyl-4,4,4-trifluorobutanoyl]-N-methyl-N-(2-methylpyrazol-3-yl)-4-oxo-3-[(2-propan-2-yl-4-pyridinyl)methyl]azetidine-2-carboxamide;(2S,3R)-N-methyl-N-(1-methylpyrazol-4-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]-3-[(2-propan-2-yl-4-pyridinyl)methyl]azetidine-2-carboxamide.

What is the SMILES notation for (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1R)-1-(3-chlorophenyl)propyl]-2-N-methyl-2-N-(2-methylpyrazol-3-yl)-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylpyrazol-3-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide;(2S,3R)-1-[(3S)-3-cyclohexyl-4,4,4-trifluorobutanoyl]-N-methyl-N-(2-methylpyrazol-3-yl)-4-oxo-3-[(2-propan-2-yl-4-pyridinyl)methyl]azetidine-2-carboxamide;(2S,3R)-N-methyl-N-(1-methylpyrazol-4-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]-3-[(2-propan-2-yl-4-pyridinyl)methyl]azetidine-2-carboxamide?

The canonical SMILES for (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1R)-1-(3-chlorophenyl)propyl]-2-N-methyl-2-N-(2-methylpyrazol-3-yl)-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylpyrazol-3-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide;(2S,3R)-1-[(3S)-3-cyclohexyl-4,4,4-trifluorobutanoyl]-N-methyl-N-(2-methylpyrazol-3-yl)-4-oxo-3-[(2-propan-2-yl-4-pyridinyl)methyl]azetidine-2-carboxamide;(2S,3R)-N-methyl-N-(1-methylpyrazol-4-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]-3-[(2-propan-2-yl-4-pyridinyl)methyl]azetidine-2-carboxamide is CC(C)c1cc(C[C@H]2C(=O)N(C(=O)C[C@@H](C3CCCCC3)C(F)(F)F)[C@@H]2C(=O)N(C)c2ccnn2C)ccn1.CC[C@@H](CC(=O)N1C(=O)[C@H](Cc2ccnc(C(C)C)c2)[C@H]1C(=O)N(C)c1cnn(C)c1)c1ccccc1.CC[C@@H](CC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)N(C)c1ccn(C)n1)c1ccccc1.CC[C@@H](NC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)N(C)c1ccnn1C)c1cccc(Cl)c1.

What is the InChIKey of (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1R)-1-(3-chlorophenyl)propyl]-2-N-methyl-2-N-(2-methylpyrazol-3-yl)-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylpyrazol-3-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide;(2S,3R)-1-[(3S)-3-cyclohexyl-4,4,4-trifluorobutanoyl]-N-methyl-N-(2-methylpyrazol-3-yl)-4-oxo-3-[(2-propan-2-yl-4-pyridinyl)methyl]azetidine-2-carboxamide;(2S,3R)-N-methyl-N-(1-methylpyrazol-4-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]-3-[(2-propan-2-yl-4-pyridinyl)methyl]azetidine-2-carboxamide?

The InChIKey is KSCJDVUGHXXBOG-SXJYLPHMSA-N. The full InChI is InChI=1S/C29H35N5O3.C28H36F3N5O3.C26H30N6O3.C25H28ClN7O3/c1-6-21(22-10-8-7-9-11-22)16-26(35)34-27(29(37)33(5)23-17-31-32(4)18-23)24(28(34)36)14-20-12-13-30-25(15-20)19(2)3;1-17(2)22-15-18(10-12-32-22)14-20-25(27(39)34(3)23-11-13-33-35(23)4)36(26(20)38)24(37)16-21(28(29,30)31)19-8-6-5-7-9-19;1-4-18(19-8-6-5-7-9-19)16-23(33)32-24(26(35)31(3)22-11-13-30(2)29-22)20(25(32)34)14-17-10-12-28-21(27)15-17;1-4-19(16-6-5-7-17(26)14-16)30-25(36)33-22(24(35)31(2)21-9-11-29-32(21)3)18(23(33)34)12-15-8-10-28-20(27)13-15/h7-13,15,17-19,21,24,27H,6,14,16H2,1-5H3;10-13,15,17,19-21,25H,5-9,14,16H2,1-4H3;5-13,15,18,20,24H,4,14,16H2,1-3H3,(H2,27,28);5-11,13-14,18-19,22H,4,12H2,1-3H3,(H2,27,28)(H,30,36)/t21-,24+,27-;20-,21+,25+;18-,20+,24-;18-,19-,22+/m0101/s1.

What are the key properties of (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1R)-1-(3-chlorophenyl)propyl]-2-N-methyl-2-N-(2-methylpyrazol-3-yl)-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylpyrazol-3-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide;(2S,3R)-1-[(3S)-3-cyclohexyl-4,4,4-trifluorobutanoyl]-N-methyl-N-(2-methylpyrazol-3-yl)-4-oxo-3-[(2-propan-2-yl-4-pyridinyl)methyl]azetidine-2-carboxamide;(2S,3R)-N-methyl-N-(1-methylpyrazol-4-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]-3-[(2-propan-2-yl-4-pyridinyl)methyl]azetidine-2-carboxamide?

(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1R)-1-(3-chlorophenyl)propyl]-2-N-methyl-2-N-(2-methylpyrazol-3-yl)-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylpyrazol-3-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide;(2S,3R)-1-[(3S)-3-cyclohexyl-4,4,4-trifluorobutanoyl]-N-methyl-N-(2-methylpyrazol-3-yl)-4-oxo-3-[(2-propan-2-yl-4-pyridinyl)methyl]azetidine-2-carboxamide;(2S,3R)-N-methyl-N-(1-methylpyrazol-4-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]-3-[(2-propan-2-yl-4-pyridinyl)methyl]azetidine-2-carboxamide has a molecular weight of 2033.82 g/mol, XLogP of 14.21, 32 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1R)-1-(3-chlorophenyl)propyl]-2-N-methyl-2-N-(2-methylpyrazol-3-yl)-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylpyrazol-3-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide;(2S,3R)-1-[(3S)-3-cyclohexyl-4,4,4-trifluorobutanoyl]-N-methyl-N-(2-methylpyrazol-3-yl)-4-oxo-3-[(2-propan-2-yl-4-pyridinyl)methyl]azetidine-2-carboxamide;(2S,3R)-N-methyl-N-(1-methylpyrazol-4-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]-3-[(2-propan-2-yl-4-pyridinyl)methyl]azetidine-2-carboxamide is sourced from PubChem (CID 159224415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).