tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methylpyrimidin-4-yl]methyl]pyrrolidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methyl-1H-pyrimidin-6-one;6-fluoro-3-[5-methyl-4-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidin-2-yl]imidazo[1,2-a]pyridine

C60H71F3N16O5 — CID 159158562

About tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methylpyrimidin-4-yl]methyl]pyrrolidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methyl-1H-pyrimidin-6-one;6-fluoro-3-[5-methyl-4-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidin-2-yl]imidazo[1,2-a]pyridine

tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methylpyrimidin-4-yl]methyl]pyrrolidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methyl-1H-pyrimidin-6-one;6-fluoro-3-[5-methyl-4-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidin-2-yl]imidazo[1,2-a]pyridine (PubChem CID 159158562) has the molecular formula C60H71F3N16O5 and a molecular weight of 1153.33 g/mol. Its IUPAC name is tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methylpyrimidin-4-yl]methyl]pyrrolidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methyl-1H-pyrimidin-6-one;6-fluoro-3-[5-methyl-4-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidin-2-yl]imidazo[1,2-a]pyridine.

Molecular Properties

• Compound Name: tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methylpyrimidin-4-yl]methyl]pyrrolidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methyl-1H-pyrimidin-6-one;6-fluoro-3-[5-methyl-4-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidin-2-yl]imidazo[1,2-a]pyridine
• PubChem CID: 159158562
• Molecular Formula: C60H71F3N16O5
• Molecular Weight: 1153.33 g/mol
• Exact Mass: 1152.57
• IUPAC Name: tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methylpyrimidin-4-yl]methyl]pyrrolidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methyl-1H-pyrimidin-6-one;6-fluoro-3-[5-methyl-4-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidin-2-yl]imidazo[1,2-a]pyridine
• SMILES: CC(C)(C)OC(=O)N1CC[C@@H](N)C1.Cc1cnc(-c2cnc3ccc(F)cn23)[nH]c1=O.Cc1cnc(-c2cnc3ccc(F)cn23)nc1C[C@@H]1CCN(C(=O)OC(C)(C)C)C1.Cc1cnc(-c2cnc3ccc(F)cn23)nc1C[C@@H]1CCNC1
• InChI: InChI=1S/C22H26FN5O2.C17H18FN5.C12H9FN4O.C9H18N2O2/c1-14-10-25-20(18-11-24-19-6-5-16(23)13-28(18)19)26-17(14)9-15-7-8-27(12-15)21(29)30-22(2,3)4;1-11-7-21-17(22-14(11)6-12-4-5-19-8-12)15-9-20-16-3-2-13(18)10-23(15)16;1-7-4-15-11(16-12(7)18)9-5-14-10-3-2-8(13)6-17(9)10;1-9(2,3)13-8(12)11-5-4-7(10)6-11/h5-6,10-11,13,15H,7-9,12H2,1-4H3;2-3,7,9-10,12,19H,4-6,8H2,1H3;2-6H,1H3,(H,15,16,18);7H,4-6,10H2,1-3H3/t15-;12-;;7-/m00.1/s1
• InChIKey: KKEXMWKXHCXWIY-SCONUEKHSA-N
• XLogP: 8.92
• TPSA: 246.34 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 7
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1153.33
LogP ≤ 5	8.92
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methylpyrimidin-4-yl]methyl]pyrrolidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methyl-1H-pyrimidin-6-one;6-fluoro-3-[5-methyl-4-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidin-2-yl]imidazo[1,2-a]pyridine?

The IUPAC name of tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methylpyrimidin-4-yl]methyl]pyrrolidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methyl-1H-pyrimidin-6-one;6-fluoro-3-[5-methyl-4-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidin-2-yl]imidazo[1,2-a]pyridine (CID 159158562) is tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methylpyrimidin-4-yl]methyl]pyrrolidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methyl-1H-pyrimidin-6-one;6-fluoro-3-[5-methyl-4-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidin-2-yl]imidazo[1,2-a]pyridine.

What is the SMILES notation for tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methylpyrimidin-4-yl]methyl]pyrrolidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methyl-1H-pyrimidin-6-one;6-fluoro-3-[5-methyl-4-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidin-2-yl]imidazo[1,2-a]pyridine?

The canonical SMILES for tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methylpyrimidin-4-yl]methyl]pyrrolidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methyl-1H-pyrimidin-6-one;6-fluoro-3-[5-methyl-4-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidin-2-yl]imidazo[1,2-a]pyridine is CC(C)(C)OC(=O)N1CC[C@@H](N)C1.Cc1cnc(-c2cnc3ccc(F)cn23)[nH]c1=O.Cc1cnc(-c2cnc3ccc(F)cn23)nc1C[C@@H]1CCN(C(=O)OC(C)(C)C)C1.Cc1cnc(-c2cnc3ccc(F)cn23)nc1C[C@@H]1CCNC1.

What is the InChIKey of tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methylpyrimidin-4-yl]methyl]pyrrolidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methyl-1H-pyrimidin-6-one;6-fluoro-3-[5-methyl-4-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidin-2-yl]imidazo[1,2-a]pyridine?

The InChIKey is KKEXMWKXHCXWIY-SCONUEKHSA-N. The full InChI is InChI=1S/C22H26FN5O2.C17H18FN5.C12H9FN4O.C9H18N2O2/c1-14-10-25-20(18-11-24-19-6-5-16(23)13-28(18)19)26-17(14)9-15-7-8-27(12-15)21(29)30-22(2,3)4;1-11-7-21-17(22-14(11)6-12-4-5-19-8-12)15-9-20-16-3-2-13(18)10-23(15)16;1-7-4-15-11(16-12(7)18)9-5-14-10-3-2-8(13)6-17(9)10;1-9(2,3)13-8(12)11-5-4-7(10)6-11/h5-6,10-11,13,15H,7-9,12H2,1-4H3;2-3,7,9-10,12,19H,4-6,8H2,1H3;2-6H,1H3,(H,15,16,18);7H,4-6,10H2,1-3H3/t15-;12-;;7-/m00.1/s1.

What are the key properties of tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methylpyrimidin-4-yl]methyl]pyrrolidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methyl-1H-pyrimidin-6-one;6-fluoro-3-[5-methyl-4-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidin-2-yl]imidazo[1,2-a]pyridine?

tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methylpyrimidin-4-yl]methyl]pyrrolidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methyl-1H-pyrimidin-6-one;6-fluoro-3-[5-methyl-4-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidin-2-yl]imidazo[1,2-a]pyridine has a molecular weight of 1153.33 g/mol, XLogP of 8.92, 7 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methylpyrimidin-4-yl]methyl]pyrrolidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methyl-1H-pyrimidin-6-one;6-fluoro-3-[5-methyl-4-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidin-2-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 159158562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).