N-(4-fluoro-3-methylphenyl)-3-[2-[[(2S)-2-hydroxybutyl]amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylamino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide

C70H77F3N12O11S — CID 159675912

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

N-(4-fluoro-3-methylphenyl)-3-[2-[[(2S)-2-hydroxybutyl]amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylamino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide (PubChem CID 159675912) has the molecular formula C70H77F3N12O11S and a molecular weight of 1351.52 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-3-[2-[[(2S)-2-hydroxybutyl]amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylamino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide.

Molecular Properties

• Compound Name: N-(4-fluoro-3-methylphenyl)-3-[2-[[(2S)-2-hydroxybutyl]amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylamino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide
• PubChem CID: 159675912
• Molecular Formula: C70H77F3N12O11S
• Molecular Weight: 1351.52 g/mol
• Exact Mass: 1350.55
• IUPAC Name: N-(4-fluoro-3-methylphenyl)-3-[2-[[(2S)-2-hydroxybutyl]amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylamino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide
• SMILES: CC[C@H](O)CNC(=O)C(=O)c1cc(C(=O)Nc2ccc(F)c(C)c2)c2n1CCCC2.Cc1cnc(C(C)(C)NC(=O)C(=O)c2cc(C(=O)Nc3ccc(F)c(C)c3)c3n2CCCC3)s1.Cc1noc(C(C)NC(=O)C(=O)c2cc(C(=O)Nc3ccc(F)c(C)c3)c3n2CCCC3)n1
• InChI: InChI=1S/C25H27FN4O3S.C23H24FN5O4.C22H26FN3O4/c1-14-11-16(8-9-18(14)26)28-22(32)17-12-20(30-10-6-5-7-19(17)30)21(31)23(33)29-25(3,4)24-27-13-15(2)34-24;1-12-10-15(7-8-17(12)24)27-21(31)16-11-19(29-9-5-4-6-18(16)29)20(30)22(32)25-13(2)23-26-14(3)28-33-23;1-3-15(27)12-24-22(30)20(28)19-11-16(18-6-4-5-9-26(18)19)21(29)25-14-7-8-17(23)13(2)10-14/h8-9,11-13H,5-7,10H2,1-4H3,(H,28,32)(H,29,33);7-8,10-11,13H,4-6,9H2,1-3H3,(H,25,32)(H,27,31);7-8,10-11,15,27H,3-6,9,12H2,1-2H3,(H,24,30)(H,25,29)/t;;15-/m..0/s1
• InChIKey: MUPBRJSZOIOGNA-BDPULHTRSA-N
• XLogP: 10.39
• TPSA: 312.64 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 18
• Rotatable Bonds: 19
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1351.52
LogP ≤ 5	10.39
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-3-[2-[[(2S)-2-hydroxybutyl]amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylamino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide?

The IUPAC name of N-(4-fluoro-3-methylphenyl)-3-[2-[[(2S)-2-hydroxybutyl]amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylamino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide (CID 159675912) is N-(4-fluoro-3-methylphenyl)-3-[2-[[(2S)-2-hydroxybutyl]amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylamino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide.

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

The canonical SMILES for N-(4-fluoro-3-methylphenyl)-3-[2-[[(2S)-2-hydroxybutyl]amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylamino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide is CC[C@H](O)CNC(=O)C(=O)c1cc(C(=O)Nc2ccc(F)c(C)c2)c2n1CCCC2.Cc1cnc(C(C)(C)NC(=O)C(=O)c2cc(C(=O)Nc3ccc(F)c(C)c3)c3n2CCCC3)s1.Cc1noc(C(C)NC(=O)C(=O)c2cc(C(=O)Nc3ccc(F)c(C)c3)c3n2CCCC3)n1.

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

The InChIKey is MUPBRJSZOIOGNA-BDPULHTRSA-N. The full InChI is InChI=1S/C25H27FN4O3S.C23H24FN5O4.C22H26FN3O4/c1-14-11-16(8-9-18(14)26)28-22(32)17-12-20(30-10-6-5-7-19(17)30)21(31)23(33)29-25(3,4)24-27-13-15(2)34-24;1-12-10-15(7-8-17(12)24)27-21(31)16-11-19(29-9-5-4-6-18(16)29)20(30)22(32)25-13(2)23-26-14(3)28-33-23;1-3-15(27)12-24-22(30)20(28)19-11-16(18-6-4-5-9-26(18)19)21(29)25-14-7-8-17(23)13(2)10-14/h8-9,11-13H,5-7,10H2,1-4H3,(H,28,32)(H,29,33);7-8,10-11,13H,4-6,9H2,1-3H3,(H,25,32)(H,27,31);7-8,10-11,15,27H,3-6,9,12H2,1-2H3,(H,24,30)(H,25,29)/t;;15-/m..0/s1.

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

N-(4-fluoro-3-methylphenyl)-3-[2-[[(2S)-2-hydroxybutyl]amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylamino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide has a molecular weight of 1351.52 g/mol, XLogP of 10.39, 19 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-fluoro-3-methylphenyl)-3-[2-[[(2S)-2-hydroxybutyl]amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylamino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide is sourced from PubChem (CID 159675912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).