(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexyl-4,4-difluoropentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexylpentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylpyrazol-3-yl)-4-oxo-1-[(3S)-3-thiophen-2-ylpentanoyl]azetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylpyrazol-3-yl)-4-oxo-1-[(3S)-3-thiophen-3-ylpentanoyl]azetidine-2-carboxamide

C100H126F2N24O12S2 — CID 160932242

About (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexyl-4,4-difluoropentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexylpentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylpyrazol-3-yl)-4-oxo-1-[(3S)-3-thiophen-2-ylpentanoyl]azetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylpyrazol-3-yl)-4-oxo-1-[(3S)-3-thiophen-3-ylpentanoyl]azetidine-2-carboxamide

(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexyl-4,4-difluoropentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexylpentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylpyrazol-3-yl)-4-oxo-1-[(3S)-3-thiophen-2-ylpentanoyl]azetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylpyrazol-3-yl)-4-oxo-1-[(3S)-3-thiophen-3-ylpentanoyl]azetidine-2-carboxamide (PubChem CID 160932242) has the molecular formula C100H126F2N24O12S2 and a molecular weight of 1958.39 g/mol. Its IUPAC name is (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexyl-4,4-difluoropentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexylpentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylpyrazol-3-yl)-4-oxo-1-[(3S)-3-thiophen-2-ylpentanoyl]azetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylpyrazol-3-yl)-4-oxo-1-[(3S)-3-thiophen-3-ylpentanoyl]azetidine-2-carboxamide.

Molecular Properties

• Compound Name: (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexyl-4,4-difluoropentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexylpentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylpyrazol-3-yl)-4-oxo-1-[(3S)-3-thiophen-2-ylpentanoyl]azetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylpyrazol-3-yl)-4-oxo-1-[(3S)-3-thiophen-3-ylpentanoyl]azetidine-2-carboxamide
• PubChem CID: 160932242
• Molecular Formula: C100H126F2N24O12S2
• Molecular Weight: 1958.39 g/mol
• Exact Mass: 1956.94
• IUPAC Name: (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexyl-4,4-difluoropentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexylpentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylpyrazol-3-yl)-4-oxo-1-[(3S)-3-thiophen-2-ylpentanoyl]azetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylpyrazol-3-yl)-4-oxo-1-[(3S)-3-thiophen-3-ylpentanoyl]azetidine-2-carboxamide
• SMILES: CC[C@@H](CC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)N(C)c1ccn(C)n1)c1cccs1.CC[C@@H](CC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)N(C)c1ccn(C)n1)c1ccsc1.CC[C@@H](CC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)N(C)c1nccn1C)C1CCCCC1.CN(C(=O)[C@@H]1[C@@H](Cc2ccnc(N)c2)C(=O)N1C(=O)C[C@@H](C1CCCCC1)C(C)(F)F)c1nccn1C
• InChI: InChI=1S/C26H34F2N6O3.C26H36N6O3.2C24H28N6O3S/c1-26(27,28)19(17-7-5-4-6-8-17)15-21(35)34-22(24(37)33(3)25-31-11-12-32(25)2)18(23(34)36)13-16-9-10-30-20(29)14-16;1-4-18(19-8-6-5-7-9-19)16-22(33)32-23(25(35)31(3)26-29-12-13-30(26)2)20(24(32)34)14-17-10-11-28-21(27)15-17;1-4-16(17-7-10-34-14-17)13-21(31)30-22(24(33)29(3)20-6-9-28(2)27-20)18(23(30)32)11-15-5-8-26-19(25)12-15;1-4-16(18-6-5-11-34-18)14-21(31)30-22(24(33)29(3)20-8-10-28(2)27-20)17(23(30)32)12-15-7-9-26-19(25)13-15/h9-12,14,17-19,22H,4-8,13,15H2,1-3H3,(H2,29,30);10-13,15,18-20,23H,4-9,14,16H2,1-3H3,(H2,27,28);5-10,12,14,16,18,22H,4,11,13H2,1-3H3,(H2,25,26);5-11,13,16-17,22H,4,12,14H2,1-3H3,(H2,25,26)/t18-,19+,22+;18-,20+,23-;16-,18+,22-;16-,17+,22-/m1000/s1
• InChIKey: STKLWZINLYFJRD-GWFBIVDRSA-N
• XLogP: 11.35
• TPSA: 457.68 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 30
• Rotatable Bonds: 32
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1958.39
LogP ≤ 5	11.35
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexyl-4,4-difluoropentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexylpentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylpyrazol-3-yl)-4-oxo-1-[(3S)-3-thiophen-2-ylpentanoyl]azetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylpyrazol-3-yl)-4-oxo-1-[(3S)-3-thiophen-3-ylpentanoyl]azetidine-2-carboxamide?

The IUPAC name of (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexyl-4,4-difluoropentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexylpentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylpyrazol-3-yl)-4-oxo-1-[(3S)-3-thiophen-2-ylpentanoyl]azetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylpyrazol-3-yl)-4-oxo-1-[(3S)-3-thiophen-3-ylpentanoyl]azetidine-2-carboxamide (CID 160932242) is (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexyl-4,4-difluoropentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexylpentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylpyrazol-3-yl)-4-oxo-1-[(3S)-3-thiophen-2-ylpentanoyl]azetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylpyrazol-3-yl)-4-oxo-1-[(3S)-3-thiophen-3-ylpentanoyl]azetidine-2-carboxamide.

What is the SMILES notation for (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexyl-4,4-difluoropentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexylpentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylpyrazol-3-yl)-4-oxo-1-[(3S)-3-thiophen-2-ylpentanoyl]azetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylpyrazol-3-yl)-4-oxo-1-[(3S)-3-thiophen-3-ylpentanoyl]azetidine-2-carboxamide?

The canonical SMILES for (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexyl-4,4-difluoropentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexylpentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylpyrazol-3-yl)-4-oxo-1-[(3S)-3-thiophen-2-ylpentanoyl]azetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylpyrazol-3-yl)-4-oxo-1-[(3S)-3-thiophen-3-ylpentanoyl]azetidine-2-carboxamide is CC[C@@H](CC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)N(C)c1ccn(C)n1)c1cccs1.CC[C@@H](CC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)N(C)c1ccn(C)n1)c1ccsc1.CC[C@@H](CC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)N(C)c1nccn1C)C1CCCCC1.CN(C(=O)[C@@H]1[C@@H](Cc2ccnc(N)c2)C(=O)N1C(=O)C[C@@H](C1CCCCC1)C(C)(F)F)c1nccn1C.

What is the InChIKey of (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexyl-4,4-difluoropentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexylpentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylpyrazol-3-yl)-4-oxo-1-[(3S)-3-thiophen-2-ylpentanoyl]azetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylpyrazol-3-yl)-4-oxo-1-[(3S)-3-thiophen-3-ylpentanoyl]azetidine-2-carboxamide?

The InChIKey is STKLWZINLYFJRD-GWFBIVDRSA-N. The full InChI is InChI=1S/C26H34F2N6O3.C26H36N6O3.2C24H28N6O3S/c1-26(27,28)19(17-7-5-4-6-8-17)15-21(35)34-22(24(37)33(3)25-31-11-12-32(25)2)18(23(34)36)13-16-9-10-30-20(29)14-16;1-4-18(19-8-6-5-7-9-19)16-22(33)32-23(25(35)31(3)26-29-12-13-30(26)2)20(24(32)34)14-17-10-11-28-21(27)15-17;1-4-16(17-7-10-34-14-17)13-21(31)30-22(24(33)29(3)20-6-9-28(2)27-20)18(23(30)32)11-15-5-8-26-19(25)12-15;1-4-16(18-6-5-11-34-18)14-21(31)30-22(24(33)29(3)20-8-10-28(2)27-20)17(23(30)32)12-15-7-9-26-19(25)13-15/h9-12,14,17-19,22H,4-8,13,15H2,1-3H3,(H2,29,30);10-13,15,18-20,23H,4-9,14,16H2,1-3H3,(H2,27,28);5-10,12,14,16,18,22H,4,11,13H2,1-3H3,(H2,25,26);5-11,13,16-17,22H,4,12,14H2,1-3H3,(H2,25,26)/t18-,19+,22+;18-,20+,23-;16-,18+,22-;16-,17+,22-/m1000/s1.

What are the key properties of (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexyl-4,4-difluoropentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexylpentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylpyrazol-3-yl)-4-oxo-1-[(3S)-3-thiophen-2-ylpentanoyl]azetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylpyrazol-3-yl)-4-oxo-1-[(3S)-3-thiophen-3-ylpentanoyl]azetidine-2-carboxamide?

(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexyl-4,4-difluoropentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexylpentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylpyrazol-3-yl)-4-oxo-1-[(3S)-3-thiophen-2-ylpentanoyl]azetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylpyrazol-3-yl)-4-oxo-1-[(3S)-3-thiophen-3-ylpentanoyl]azetidine-2-carboxamide has a molecular weight of 1958.39 g/mol, XLogP of 11.35, 32 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexyl-4,4-difluoropentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexylpentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylpyrazol-3-yl)-4-oxo-1-[(3S)-3-thiophen-2-ylpentanoyl]azetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methylpyrazol-3-yl)-4-oxo-1-[(3S)-3-thiophen-3-ylpentanoyl]azetidine-2-carboxamide is sourced from PubChem (CID 160932242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).