3-[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[[(3R)-2,2-dimethyl-4-oxopentan-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[[(1R)-2,2-dimethyl-1-(1H-1,2,4-triazol-5-yl)propyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide

C76H92F3N13O11 — CID 158532682

About 3-[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[[(3R)-2,2-dimethyl-4-oxopentan-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[[(1R)-2,2-dimethyl-1-(1H-1,2,4-triazol-5-yl)propyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide

3-[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[[(3R)-2,2-dimethyl-4-oxopentan-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[[(1R)-2,2-dimethyl-1-(1H-1,2,4-triazol-5-yl)propyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide (PubChem CID 158532682) has the molecular formula C76H92F3N13O11 and a molecular weight of 1420.65 g/mol. Its IUPAC name is 3-[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[[(3R)-2,2-dimethyl-4-oxopentan-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[[(1R)-2,2-dimethyl-1-(1H-1,2,4-triazol-5-yl)propyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide.

Molecular Properties

• Compound Name: 3-[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[[(3R)-2,2-dimethyl-4-oxopentan-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[[(1R)-2,2-dimethyl-1-(1H-1,2,4-triazol-5-yl)propyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide
• PubChem CID: 158532682
• Molecular Formula: C76H92F3N13O11
• Molecular Weight: 1420.65 g/mol
• Exact Mass: 1419.70
• IUPAC Name: 3-[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[[(3R)-2,2-dimethyl-4-oxopentan-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[[(1R)-2,2-dimethyl-1-(1H-1,2,4-triazol-5-yl)propyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide
• SMILES: CC(=O)[C@H](NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C)c2)c2n1CCCC2)C(C)(C)C.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@@H](c3ncn[nH]3)C(C)(C)C)n3c2CCCC3)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@H](C(N)=O)C(C)C)n3c2CCCC3)ccc1F
• InChI: InChI=1S/C26H31FN6O3.C26H32FN3O4.C24H29FN4O4/c1-14-12-16(9-10-17(14)27)30-24(35)19-15(2)20(33-11-7-6-8-18(19)33)21(34)25(36)31-22(26(3,4)5)23-28-13-29-32-23;1-14-13-17(10-11-18(14)27)28-24(33)20-15(2)21(30-12-8-7-9-19(20)30)22(32)25(34)29-23(16(3)31)26(4,5)6;1-12(2)19(22(26)31)28-24(33)21(30)20-14(4)18(17-7-5-6-10-29(17)20)23(32)27-15-8-9-16(25)13(3)11-15/h9-10,12-13,22H,6-8,11H2,1-5H3,(H,30,35)(H,31,36)(H,28,29,32);10-11,13,23H,7-9,12H2,1-6H3,(H,28,33)(H,29,34);8-9,11-12,19H,5-7,10H2,1-4H3,(H2,26,31)(H,27,32)(H,28,33)/t22-;23-;19-/m000/s1
• InChIKey: HNOHSVSCKLLBEN-XPEWUNGBSA-N
• XLogP: 10.81
• TPSA: 342.33 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 16
• Rotatable Bonds: 19
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1420.65
LogP ≤ 5	10.81
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[[(3R)-2,2-dimethyl-4-oxopentan-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[[(1R)-2,2-dimethyl-1-(1H-1,2,4-triazol-5-yl)propyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide?

The IUPAC name of 3-[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[[(3R)-2,2-dimethyl-4-oxopentan-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[[(1R)-2,2-dimethyl-1-(1H-1,2,4-triazol-5-yl)propyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide (CID 158532682) is 3-[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[[(3R)-2,2-dimethyl-4-oxopentan-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[[(1R)-2,2-dimethyl-1-(1H-1,2,4-triazol-5-yl)propyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide.

What is the SMILES notation for 3-[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[[(3R)-2,2-dimethyl-4-oxopentan-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[[(1R)-2,2-dimethyl-1-(1H-1,2,4-triazol-5-yl)propyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide?

The canonical SMILES for 3-[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[[(3R)-2,2-dimethyl-4-oxopentan-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[[(1R)-2,2-dimethyl-1-(1H-1,2,4-triazol-5-yl)propyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide is CC(=O)[C@H](NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C)c2)c2n1CCCC2)C(C)(C)C.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@@H](c3ncn[nH]3)C(C)(C)C)n3c2CCCC3)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@H](C(N)=O)C(C)C)n3c2CCCC3)ccc1F.

What is the InChIKey of 3-[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[[(3R)-2,2-dimethyl-4-oxopentan-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[[(1R)-2,2-dimethyl-1-(1H-1,2,4-triazol-5-yl)propyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide?

The InChIKey is HNOHSVSCKLLBEN-XPEWUNGBSA-N. The full InChI is InChI=1S/C26H31FN6O3.C26H32FN3O4.C24H29FN4O4/c1-14-12-16(9-10-17(14)27)30-24(35)19-15(2)20(33-11-7-6-8-18(19)33)21(34)25(36)31-22(26(3,4)5)23-28-13-29-32-23;1-14-13-17(10-11-18(14)27)28-24(33)20-15(2)21(30-12-8-7-9-19(20)30)22(32)25(34)29-23(16(3)31)26(4,5)6;1-12(2)19(22(26)31)28-24(33)21(30)20-14(4)18(17-7-5-6-10-29(17)20)23(32)27-15-8-9-16(25)13(3)11-15/h9-10,12-13,22H,6-8,11H2,1-5H3,(H,30,35)(H,31,36)(H,28,29,32);10-11,13,23H,7-9,12H2,1-6H3,(H,28,33)(H,29,34);8-9,11-12,19H,5-7,10H2,1-4H3,(H2,26,31)(H,27,32)(H,28,33)/t22-;23-;19-/m000/s1.

What are the key properties of 3-[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[[(3R)-2,2-dimethyl-4-oxopentan-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[[(1R)-2,2-dimethyl-1-(1H-1,2,4-triazol-5-yl)propyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide?

3-[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[[(3R)-2,2-dimethyl-4-oxopentan-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[[(1R)-2,2-dimethyl-1-(1H-1,2,4-triazol-5-yl)propyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide has a molecular weight of 1420.65 g/mol, XLogP of 10.81, 19 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[[(3R)-2,2-dimethyl-4-oxopentan-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[[(1R)-2,2-dimethyl-1-(1H-1,2,4-triazol-5-yl)propyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide is sourced from PubChem (CID 158532682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).