3-[2-(tert-butylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[(1-ethyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-[[(2R,3R)-2-hydroxypentan-3-yl]amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide

C70H82F5N9O10 — CID 161345436

About 3-[2-(tert-butylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[(1-ethyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-[[(2R,3R)-2-hydroxypentan-3-yl]amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide

3-[2-(tert-butylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[(1-ethyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-[[(2R,3R)-2-hydroxypentan-3-yl]amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide (PubChem CID 161345436) has the molecular formula C70H82F5N9O10 and a molecular weight of 1304.47 g/mol. Its IUPAC name is 3-[2-(tert-butylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[(1-ethyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-[[(2R,3R)-2-hydroxypentan-3-yl]amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide.

Molecular Properties

• Compound Name: 3-[2-(tert-butylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[(1-ethyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-[[(2R,3R)-2-hydroxypentan-3-yl]amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide
• PubChem CID: 161345436
• Molecular Formula: C70H82F5N9O10
• Molecular Weight: 1304.47 g/mol
• Exact Mass: 1303.61
• IUPAC Name: 3-[2-(tert-butylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[(1-ethyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-[[(2R,3R)-2-hydroxypentan-3-yl]amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide
• SMILES: CCC1(NC(=O)C(=O)c2cc(C(=O)Nc3ccc(F)c(C)c3)c3n2CCCC3)CC(F)(F)C1.CC[C@@H](NC(=O)C(=O)c1cc(C(=O)Nc2ccc(F)c(C)c2)c2n1CCCC2)[C@@H](C)O.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC(C)(C)C)n3c2CCCC3)ccc1F
• InChI: InChI=1S/C24H26F3N3O3.C23H28FN3O4.C23H28FN3O3/c1-3-23(12-24(26,27)13-23)29-22(33)20(31)19-11-16(18-6-4-5-9-30(18)19)21(32)28-15-7-8-17(25)14(2)10-15;1-4-18(14(3)28)26-23(31)21(29)20-12-16(19-7-5-6-10-27(19)20)22(30)25-15-8-9-17(24)13(2)11-15;1-13-12-15(9-10-16(13)24)25-21(29)18-14(2)19(27-11-7-6-8-17(18)27)20(28)22(30)26-23(3,4)5/h7-8,10-11H,3-6,9,12-13H2,1-2H3,(H,28,32)(H,29,33);8-9,11-12,14,18,28H,4-7,10H2,1-3H3,(H,25,30)(H,26,31);9-10,12H,6-8,11H2,1-5H3,(H,25,29)(H,26,30)/t;14-,18-;/m.1./s1
• InChIKey: VNFOAVCAIIIYRE-FKIXVZCVSA-N
• XLogP: 11.31
• TPSA: 260.83 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 13
• Rotatable Bonds: 17
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1304.47
LogP ≤ 5	11.31
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[2-(tert-butylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[(1-ethyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-[[(2R,3R)-2-hydroxypentan-3-yl]amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide?

The IUPAC name of 3-[2-(tert-butylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[(1-ethyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-[[(2R,3R)-2-hydroxypentan-3-yl]amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide (CID 161345436) is 3-[2-(tert-butylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[(1-ethyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-[[(2R,3R)-2-hydroxypentan-3-yl]amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide.

What is the SMILES notation for 3-[2-(tert-butylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[(1-ethyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-[[(2R,3R)-2-hydroxypentan-3-yl]amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide?

The canonical SMILES for 3-[2-(tert-butylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[(1-ethyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-[[(2R,3R)-2-hydroxypentan-3-yl]amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide is CCC1(NC(=O)C(=O)c2cc(C(=O)Nc3ccc(F)c(C)c3)c3n2CCCC3)CC(F)(F)C1.CC[C@@H](NC(=O)C(=O)c1cc(C(=O)Nc2ccc(F)c(C)c2)c2n1CCCC2)[C@@H](C)O.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC(C)(C)C)n3c2CCCC3)ccc1F.

What is the InChIKey of 3-[2-(tert-butylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[(1-ethyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-[[(2R,3R)-2-hydroxypentan-3-yl]amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide?

The InChIKey is VNFOAVCAIIIYRE-FKIXVZCVSA-N. The full InChI is InChI=1S/C24H26F3N3O3.C23H28FN3O4.C23H28FN3O3/c1-3-23(12-24(26,27)13-23)29-22(33)20(31)19-11-16(18-6-4-5-9-30(18)19)21(32)28-15-7-8-17(25)14(2)10-15;1-4-18(14(3)28)26-23(31)21(29)20-12-16(19-7-5-6-10-27(19)20)22(30)25-15-8-9-17(24)13(2)11-15;1-13-12-15(9-10-16(13)24)25-21(29)18-14(2)19(27-11-7-6-8-17(18)27)20(28)22(30)26-23(3,4)5/h7-8,10-11H,3-6,9,12-13H2,1-2H3,(H,28,32)(H,29,33);8-9,11-12,14,18,28H,4-7,10H2,1-3H3,(H,25,30)(H,26,31);9-10,12H,6-8,11H2,1-5H3,(H,25,29)(H,26,30)/t;14-,18-;/m.1./s1.

What are the key properties of 3-[2-(tert-butylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[(1-ethyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-[[(2R,3R)-2-hydroxypentan-3-yl]amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide?

3-[2-(tert-butylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[(1-ethyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-[[(2R,3R)-2-hydroxypentan-3-yl]amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide has a molecular weight of 1304.47 g/mol, XLogP of 11.31, 17 rotatable bonds, 7 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(tert-butylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;3-[2-[(1-ethyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-[[(2R,3R)-2-hydroxypentan-3-yl]amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide is sourced from PubChem (CID 161345436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).