3-[2-[2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-2-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-2-methyl-3-[2-[(3-methylcyclobutyl)amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide

C75H91F3N12O10 — CID 157367817

About 3-[2-[2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-2-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-2-methyl-3-[2-[(3-methylcyclobutyl)amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide

3-[2-[2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-2-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-2-methyl-3-[2-[(3-methylcyclobutyl)amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide (PubChem CID 157367817) has the molecular formula C75H91F3N12O10 and a molecular weight of 1377.62 g/mol. Its IUPAC name is 3-[2-[2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-2-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-2-methyl-3-[2-[(3-methylcyclobutyl)amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide.

Molecular Properties

• Compound Name: 3-[2-[2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-2-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-2-methyl-3-[2-[(3-methylcyclobutyl)amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide
• PubChem CID: 157367817
• Molecular Formula: C75H91F3N12O10
• Molecular Weight: 1377.62 g/mol
• Exact Mass: 1376.69
• IUPAC Name: 3-[2-[2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-2-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-2-methyl-3-[2-[(3-methylcyclobutyl)amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide
• SMILES: CCC(C)(C)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C)c2)c2n1CCCC2.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC(C)(C)c3nc(CN(C)C)no3)n3c2CCCC3)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3CC(C)C3)n3c2CCCC3)ccc1F
• InChI: InChI=1S/C27H33FN6O4.C24H28FN3O3.C24H30FN3O3/c1-15-13-17(10-11-18(15)28)29-24(36)21-16(2)22(34-12-8-7-9-19(21)34)23(35)25(37)31-27(3,4)26-30-20(32-38-26)14-33(5)6;1-13-10-17(11-13)27-24(31)22(29)21-15(3)20(19-6-4-5-9-28(19)21)23(30)26-16-7-8-18(25)14(2)12-16;1-6-24(4,5)27-23(31)21(29)20-15(3)19(18-9-7-8-12-28(18)20)22(30)26-16-10-11-17(25)14(2)13-16/h10-11,13H,7-9,12,14H2,1-6H3,(H,29,36)(H,31,37);7-8,12-13,17H,4-6,9-11H2,1-3H3,(H,26,30)(H,27,31);10-11,13H,6-9,12H2,1-5H3,(H,26,30)(H,27,31)
• InChIKey: BJJZCDASLQOEKH-UHFFFAOYSA-N
• XLogP: 11.76
• TPSA: 282.76 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 16
• Rotatable Bonds: 19
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1377.62
LogP ≤ 5	11.76
H-Bond Donors ≤ 5	6
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-[2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-2-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-2-methyl-3-[2-[(3-methylcyclobutyl)amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide?

The IUPAC name of 3-[2-[2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-2-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-2-methyl-3-[2-[(3-methylcyclobutyl)amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide (CID 157367817) is 3-[2-[2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-2-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-2-methyl-3-[2-[(3-methylcyclobutyl)amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide.

What is the SMILES notation for 3-[2-[2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-2-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-2-methyl-3-[2-[(3-methylcyclobutyl)amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide?

The canonical SMILES for 3-[2-[2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-2-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-2-methyl-3-[2-[(3-methylcyclobutyl)amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide is CCC(C)(C)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C)c2)c2n1CCCC2.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC(C)(C)c3nc(CN(C)C)no3)n3c2CCCC3)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3CC(C)C3)n3c2CCCC3)ccc1F.

What is the InChIKey of 3-[2-[2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-2-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-2-methyl-3-[2-[(3-methylcyclobutyl)amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide?

The InChIKey is BJJZCDASLQOEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN6O4.C24H28FN3O3.C24H30FN3O3/c1-15-13-17(10-11-18(15)28)29-24(36)21-16(2)22(34-12-8-7-9-19(21)34)23(35)25(37)31-27(3,4)26-30-20(32-38-26)14-33(5)6;1-13-10-17(11-13)27-24(31)22(29)21-15(3)20(19-6-4-5-9-28(19)21)23(30)26-16-7-8-18(25)14(2)12-16;1-6-24(4,5)27-23(31)21(29)20-15(3)19(18-9-7-8-12-28(18)20)22(30)26-16-10-11-17(25)14(2)13-16/h10-11,13H,7-9,12,14H2,1-6H3,(H,29,36)(H,31,37);7-8,12-13,17H,4-6,9-11H2,1-3H3,(H,26,30)(H,27,31);10-11,13H,6-9,12H2,1-5H3,(H,26,30)(H,27,31).

What are the key properties of 3-[2-[2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-2-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-2-methyl-3-[2-[(3-methylcyclobutyl)amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide?

3-[2-[2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-2-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-2-methyl-3-[2-[(3-methylcyclobutyl)amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide has a molecular weight of 1377.62 g/mol, XLogP of 11.76, 19 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-2-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-2-methyl-3-[2-[(3-methylcyclobutyl)amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide is sourced from PubChem (CID 157367817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).