3-[2-[[3-fluoro-1-(hydroxymethyl)-3-methylcyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-[[(1S,2R)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-[[(3S,4R)-4-hydroxyoxolan-3-yl]amino]-2-oxoacetyl]-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide

C72H83F4N9O13 — CID 160900162

About 3-[2-[[3-fluoro-1-(hydroxymethyl)-3-methylcyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-[[(1S,2R)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-[[(3S,4R)-4-hydroxyoxolan-3-yl]amino]-2-oxoacetyl]-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide

3-[2-[[3-fluoro-1-(hydroxymethyl)-3-methylcyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-[[(1S,2R)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-[[(3S,4R)-4-hydroxyoxolan-3-yl]amino]-2-oxoacetyl]-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide (PubChem CID 160900162) has the molecular formula C72H83F4N9O13 and a molecular weight of 1358.50 g/mol. Its IUPAC name is 3-[2-[[3-fluoro-1-(hydroxymethyl)-3-methylcyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-[[(1S,2R)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-[[(3S,4R)-4-hydroxyoxolan-3-yl]amino]-2-oxoacetyl]-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide.

Molecular Properties

• Compound Name: 3-[2-[[3-fluoro-1-(hydroxymethyl)-3-methylcyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-[[(1S,2R)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-[[(3S,4R)-4-hydroxyoxolan-3-yl]amino]-2-oxoacetyl]-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide
• PubChem CID: 160900162
• Molecular Formula: C72H83F4N9O13
• Molecular Weight: 1358.50 g/mol
• Exact Mass: 1357.60
• IUPAC Name: 3-[2-[[3-fluoro-1-(hydroxymethyl)-3-methylcyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-[[(1S,2R)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-[[(3S,4R)-4-hydroxyoxolan-3-yl]amino]-2-oxoacetyl]-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide
• SMILES: Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(CO)CC(C)(F)C3)n3c2CCCC3)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@H]3CCC[C@H]3O)n3c2CCCC3)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@H]3COC[C@@H]3O)n3c2CCCC3)ccc1F
• InChI: InChI=1S/C25H29F2N3O4.C24H28FN3O4.C23H26FN3O5/c1-14-10-16(7-8-17(14)26)28-22(33)19-15(2)20(30-9-5-4-6-18(19)30)21(32)23(34)29-25(13-31)11-24(3,27)12-25;1-13-12-15(9-10-16(13)25)26-23(31)20-14(2)21(28-11-4-3-7-18(20)28)22(30)24(32)27-17-6-5-8-19(17)29;1-12-9-14(6-7-15(12)24)25-22(30)19-13(2)20(27-8-4-3-5-17(19)27)21(29)23(31)26-16-10-32-11-18(16)28/h7-8,10,31H,4-6,9,11-13H2,1-3H3,(H,28,33)(H,29,34);9-10,12,17,19,29H,3-8,11H2,1-2H3,(H,26,31)(H,27,32);6-7,9,16,18,28H,3-5,8,10-11H2,1-2H3,(H,25,30)(H,26,31)/t;17-,19+;16-,18-/m.00/s1
• InChIKey: SPJZZUZZKMGCSS-ATPIRIHFSA-N
• XLogP: 8.32
• TPSA: 310.52 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 16
• Rotatable Bonds: 16
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1358.50
LogP ≤ 5	8.32
H-Bond Donors ≤ 5	9
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-[[3-fluoro-1-(hydroxymethyl)-3-methylcyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-[[(1S,2R)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-[[(3S,4R)-4-hydroxyoxolan-3-yl]amino]-2-oxoacetyl]-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide?

The IUPAC name of 3-[2-[[3-fluoro-1-(hydroxymethyl)-3-methylcyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-[[(1S,2R)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-[[(3S,4R)-4-hydroxyoxolan-3-yl]amino]-2-oxoacetyl]-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide (CID 160900162) is 3-[2-[[3-fluoro-1-(hydroxymethyl)-3-methylcyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-[[(1S,2R)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-[[(3S,4R)-4-hydroxyoxolan-3-yl]amino]-2-oxoacetyl]-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide.

What is the SMILES notation for 3-[2-[[3-fluoro-1-(hydroxymethyl)-3-methylcyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-[[(1S,2R)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-[[(3S,4R)-4-hydroxyoxolan-3-yl]amino]-2-oxoacetyl]-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide?

The canonical SMILES for 3-[2-[[3-fluoro-1-(hydroxymethyl)-3-methylcyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-[[(1S,2R)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-[[(3S,4R)-4-hydroxyoxolan-3-yl]amino]-2-oxoacetyl]-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide is Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(CO)CC(C)(F)C3)n3c2CCCC3)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@H]3CCC[C@H]3O)n3c2CCCC3)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@H]3COC[C@@H]3O)n3c2CCCC3)ccc1F.

What is the InChIKey of 3-[2-[[3-fluoro-1-(hydroxymethyl)-3-methylcyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-[[(1S,2R)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-[[(3S,4R)-4-hydroxyoxolan-3-yl]amino]-2-oxoacetyl]-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide?

The InChIKey is SPJZZUZZKMGCSS-ATPIRIHFSA-N. The full InChI is InChI=1S/C25H29F2N3O4.C24H28FN3O4.C23H26FN3O5/c1-14-10-16(7-8-17(14)26)28-22(33)19-15(2)20(30-9-5-4-6-18(19)30)21(32)23(34)29-25(13-31)11-24(3,27)12-25;1-13-12-15(9-10-16(13)25)26-23(31)20-14(2)21(28-11-4-3-7-18(20)28)22(30)24(32)27-17-6-5-8-19(17)29;1-12-9-14(6-7-15(12)24)25-22(30)19-13(2)20(27-8-4-3-5-17(19)27)21(29)23(31)26-16-10-32-11-18(16)28/h7-8,10,31H,4-6,9,11-13H2,1-3H3,(H,28,33)(H,29,34);9-10,12,17,19,29H,3-8,11H2,1-2H3,(H,26,31)(H,27,32);6-7,9,16,18,28H,3-5,8,10-11H2,1-2H3,(H,25,30)(H,26,31)/t;17-,19+;16-,18-/m.00/s1.

What are the key properties of 3-[2-[[3-fluoro-1-(hydroxymethyl)-3-methylcyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-[[(1S,2R)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-[[(3S,4R)-4-hydroxyoxolan-3-yl]amino]-2-oxoacetyl]-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide?

3-[2-[[3-fluoro-1-(hydroxymethyl)-3-methylcyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-[[(1S,2R)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-[[(3S,4R)-4-hydroxyoxolan-3-yl]amino]-2-oxoacetyl]-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide has a molecular weight of 1358.50 g/mol, XLogP of 8.32, 16 rotatable bonds, 9 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[[3-fluoro-1-(hydroxymethyl)-3-methylcyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-[[(1S,2R)-2-hydroxycyclopentyl]amino]-2-oxoacetyl]-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-3-[2-[[(3S,4R)-4-hydroxyoxolan-3-yl]amino]-2-oxoacetyl]-2-methyl-5,6,7,8-tetrahydroindolizine-1-carboxamide is sourced from PubChem (CID 160900162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).