tert-butyl N-[(2S)-1-[[(2S)-1-[(2S)-2-[[(6-fluoroimidazo[1,2-a]pyrimidine-2-carbonyl)-[2-(4-fluorophenyl)ethyl]amino]methyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;N-[[(2S)-1-[(2S)-3,3-dimethyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-6-fluoro-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide;6-fluoroimidazo[1,2-a]pyrimidine-2-carboxylic acid;methane;hydrobromide

C75H100BrF5N16O10 — CID 159069610

About tert-butyl N-[(2S)-1-[[(2S)-1-[(2S)-2-[[(6-fluoroimidazo[1,2-a]pyrimidine-2-carbonyl)-[2-(4-fluorophenyl)ethyl]amino]methyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;N-[[(2S)-1-[(2S)-3,3-dimethyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-6-fluoro-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide;6-fluoroimidazo[1,2-a]pyrimidine-2-carboxylic acid;methane;hydrobromide

tert-butyl N-[(2S)-1-[[(2S)-1-[(2S)-2-[[(6-fluoroimidazo[1,2-a]pyrimidine-2-carbonyl)-[2-(4-fluorophenyl)ethyl]amino]methyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;N-[[(2S)-1-[(2S)-3,3-dimethyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-6-fluoro-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide;6-fluoroimidazo[1,2-a]pyrimidine-2-carboxylic acid;methane;hydrobromide (PubChem CID 159069610) has the molecular formula C75H100BrF5N16O10 and a molecular weight of 1560.62 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-[[(2S)-1-[(2S)-2-[[(6-fluoroimidazo[1,2-a]pyrimidine-2-carbonyl)-[2-(4-fluorophenyl)ethyl]amino]methyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;N-[[(2S)-1-[(2S)-3,3-dimethyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-6-fluoro-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide;6-fluoroimidazo[1,2-a]pyrimidine-2-carboxylic acid;methane;hydrobromide.

Molecular Properties

• Compound Name: tert-butyl N-[(2S)-1-[[(2S)-1-[(2S)-2-[[(6-fluoroimidazo[1,2-a]pyrimidine-2-carbonyl)-[2-(4-fluorophenyl)ethyl]amino]methyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;N-[[(2S)-1-[(2S)-3,3-dimethyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-6-fluoro-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide;6-fluoroimidazo[1,2-a]pyrimidine-2-carboxylic acid;methane;hydrobromide
• PubChem CID: 159069610
• Molecular Formula: C75H100BrF5N16O10
• Molecular Weight: 1560.62 g/mol
• Exact Mass: 1558.69
• IUPAC Name: tert-butyl N-[(2S)-1-[[(2S)-1-[(2S)-2-[[(6-fluoroimidazo[1,2-a]pyrimidine-2-carbonyl)-[2-(4-fluorophenyl)ethyl]amino]methyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;N-[[(2S)-1-[(2S)-3,3-dimethyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-6-fluoro-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide;6-fluoroimidazo[1,2-a]pyrimidine-2-carboxylic acid;methane;hydrobromide
• SMILES: Br.C.C.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1CN(CCc1ccc(F)cc1)C(=O)c1cn2cc(F)cnc2n1)C(C)(C)C.C[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1CN(CCc1ccc(F)cc1)C(=O)c1cn2cc(F)cnc2n1)C(C)(C)C)N(C)C(=O)OC(C)(C)C.O=C(O)c1cn2cc(F)cnc2n1
• InChI: InChI=1S/C35H47F2N7O5.C31H40F2N6O3.C7H4FN3O2.2CH4.BrH/c1-22(41(8)33(48)49-35(5,6)7)29(45)40-28(34(2,3)4)31(47)44-16-9-10-26(44)20-42(17-15-23-11-13-24(36)14-12-23)30(46)27-21-43-19-25(37)18-38-32(43)39-27;1-6-20(2)27(40)36-26(31(3,4)5)29(42)39-14-7-8-24(39)18-37(15-13-21-9-11-22(32)12-10-21)28(41)25-19-38-17-23(33)16-34-30(38)35-25;8-4-1-9-7-10-5(6(12)13)3-11(7)2-4;;;/h11-14,18-19,21-22,26,28H,9-10,15-17,20H2,1-8H3,(H,40,45);9-12,16-17,19-20,24,26H,6-8,13-15,18H2,1-5H3,(H,36,40);1-3H,(H,12,13);2*1H4;1H/t22-,26-,28+;20-,24+,26-;;;;/m01..../s1
• InChIKey: AZHFMNMCNYNVIN-ZLZFEVMBSA-N
• XLogP: 11.15
• TPSA: 296.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 21
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1560.62
LogP ≤ 5	11.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-[[(2S)-1-[(2S)-2-[[(6-fluoroimidazo[1,2-a]pyrimidine-2-carbonyl)-[2-(4-fluorophenyl)ethyl]amino]methyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;N-[[(2S)-1-[(2S)-3,3-dimethyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-6-fluoro-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide;6-fluoroimidazo[1,2-a]pyrimidine-2-carboxylic acid;methane;hydrobromide?

The IUPAC name of tert-butyl N-[(2S)-1-[[(2S)-1-[(2S)-2-[[(6-fluoroimidazo[1,2-a]pyrimidine-2-carbonyl)-[2-(4-fluorophenyl)ethyl]amino]methyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;N-[[(2S)-1-[(2S)-3,3-dimethyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-6-fluoro-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide;6-fluoroimidazo[1,2-a]pyrimidine-2-carboxylic acid;methane;hydrobromide (CID 159069610) is tert-butyl N-[(2S)-1-[[(2S)-1-[(2S)-2-[[(6-fluoroimidazo[1,2-a]pyrimidine-2-carbonyl)-[2-(4-fluorophenyl)ethyl]amino]methyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;N-[[(2S)-1-[(2S)-3,3-dimethyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-6-fluoro-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide;6-fluoroimidazo[1,2-a]pyrimidine-2-carboxylic acid;methane;hydrobromide.

What is the SMILES notation for tert-butyl N-[(2S)-1-[[(2S)-1-[(2S)-2-[[(6-fluoroimidazo[1,2-a]pyrimidine-2-carbonyl)-[2-(4-fluorophenyl)ethyl]amino]methyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;N-[[(2S)-1-[(2S)-3,3-dimethyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-6-fluoro-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide;6-fluoroimidazo[1,2-a]pyrimidine-2-carboxylic acid;methane;hydrobromide?

The canonical SMILES for tert-butyl N-[(2S)-1-[[(2S)-1-[(2S)-2-[[(6-fluoroimidazo[1,2-a]pyrimidine-2-carbonyl)-[2-(4-fluorophenyl)ethyl]amino]methyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;N-[[(2S)-1-[(2S)-3,3-dimethyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-6-fluoro-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide;6-fluoroimidazo[1,2-a]pyrimidine-2-carboxylic acid;methane;hydrobromide is Br.C.C.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1CN(CCc1ccc(F)cc1)C(=O)c1cn2cc(F)cnc2n1)C(C)(C)C.C[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1CN(CCc1ccc(F)cc1)C(=O)c1cn2cc(F)cnc2n1)C(C)(C)C)N(C)C(=O)OC(C)(C)C.O=C(O)c1cn2cc(F)cnc2n1.

What is the InChIKey of tert-butyl N-[(2S)-1-[[(2S)-1-[(2S)-2-[[(6-fluoroimidazo[1,2-a]pyrimidine-2-carbonyl)-[2-(4-fluorophenyl)ethyl]amino]methyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;N-[[(2S)-1-[(2S)-3,3-dimethyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-6-fluoro-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide;6-fluoroimidazo[1,2-a]pyrimidine-2-carboxylic acid;methane;hydrobromide?

The InChIKey is AZHFMNMCNYNVIN-ZLZFEVMBSA-N. The full InChI is InChI=1S/C35H47F2N7O5.C31H40F2N6O3.C7H4FN3O2.2CH4.BrH/c1-22(41(8)33(48)49-35(5,6)7)29(45)40-28(34(2,3)4)31(47)44-16-9-10-26(44)20-42(17-15-23-11-13-24(36)14-12-23)30(46)27-21-43-19-25(37)18-38-32(43)39-27;1-6-20(2)27(40)36-26(31(3,4)5)29(42)39-14-7-8-24(39)18-37(15-13-21-9-11-22(32)12-10-21)28(41)25-19-38-17-23(33)16-34-30(38)35-25;8-4-1-9-7-10-5(6(12)13)3-11(7)2-4;;;/h11-14,18-19,21-22,26,28H,9-10,15-17,20H2,1-8H3,(H,40,45);9-12,16-17,19-20,24,26H,6-8,13-15,18H2,1-5H3,(H,36,40);1-3H,(H,12,13);2*1H4;1H/t22-,26-,28+;20-,24+,26-;;;;/m01..../s1.

What are the key properties of tert-butyl N-[(2S)-1-[[(2S)-1-[(2S)-2-[[(6-fluoroimidazo[1,2-a]pyrimidine-2-carbonyl)-[2-(4-fluorophenyl)ethyl]amino]methyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;N-[[(2S)-1-[(2S)-3,3-dimethyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-6-fluoro-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide;6-fluoroimidazo[1,2-a]pyrimidine-2-carboxylic acid;methane;hydrobromide?

tert-butyl N-[(2S)-1-[[(2S)-1-[(2S)-2-[[(6-fluoroimidazo[1,2-a]pyrimidine-2-carbonyl)-[2-(4-fluorophenyl)ethyl]amino]methyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;N-[[(2S)-1-[(2S)-3,3-dimethyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-6-fluoro-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide;6-fluoroimidazo[1,2-a]pyrimidine-2-carboxylic acid;methane;hydrobromide has a molecular weight of 1560.62 g/mol, XLogP of 11.15, 21 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(2S)-1-[[(2S)-1-[(2S)-2-[[(6-fluoroimidazo[1,2-a]pyrimidine-2-carbonyl)-[2-(4-fluorophenyl)ethyl]amino]methyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;N-[[(2S)-1-[(2S)-3,3-dimethyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-6-fluoro-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide;6-fluoroimidazo[1,2-a]pyrimidine-2-carboxylic acid;methane;hydrobromide is sourced from PubChem (CID 159069610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).