5-(1-hydroxyethyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide;N-[(3S)-1-(6-methylimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide;N-[(3S)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide

C76H81N29O5S — CID 157419352

About 5-(1-hydroxyethyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide;N-[(3S)-1-(6-methylimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide;N-[(3S)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide

5-(1-hydroxyethyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide;N-[(3S)-1-(6-methylimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide;N-[(3S)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide (PubChem CID 157419352) has the molecular formula C76H81N29O5S and a molecular weight of 1512.75 g/mol. Its IUPAC name is 5-(1-hydroxyethyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide;N-[(3S)-1-(6-methylimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide;N-[(3S)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-(1-hydroxyethyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide;N-[(3S)-1-(6-methylimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide;N-[(3S)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide
• PubChem CID: 157419352
• Molecular Formula: C76H81N29O5S
• Molecular Weight: 1512.75 g/mol
• Exact Mass: 1511.67
• IUPAC Name: 5-(1-hydroxyethyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide;N-[(3S)-1-(6-methylimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide;N-[(3S)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide
• SMILES: CC(O)c1cnc(C(=O)N[C@H]2CCN(c3nccn4ccnc34)C2)nc1.Cc1cn2ccnc2c(N2CC[C@H](NC(=O)c3cn(-c4ccccc4)cn3)C2)n1.Cc1cn2cnnc2c(N2CC[C@H](NC(=O)c3cn(-c4ccccc4)cn3)C2)n1.O=C(N[C@H]1CCN(c2nccn3ccnc23)C1)c1csc(N2CCCC2)n1
• InChI: InChI=1S/C21H21N7O.C20H20N8O.C18H21N7OS.C17H19N7O2/c1-15-11-27-10-8-22-19(27)20(24-15)26-9-7-16(12-26)25-21(29)18-13-28(14-23-18)17-5-3-2-4-6-17;1-14-9-28-13-22-25-19(28)18(23-14)26-8-7-15(10-26)24-20(29)17-11-27(12-21-17)16-5-3-2-4-6-16;26-17(14-12-27-18(22-14)24-6-1-2-7-24)21-13-3-8-25(11-13)16-15-19-4-9-23(15)10-5-20-16;1-11(25)12-8-20-14(21-9-12)17(26)22-13-2-5-24(10-13)16-15-18-3-6-23(15)7-4-19-16/h2-6,8,10-11,13-14,16H,7,9,12H2,1H3,(H,25,29);2-6,9,11-13,15H,7-8,10H2,1H3,(H,24,29);4-5,9-10,12-13H,1-3,6-8,11H2,(H,21,26);3-4,6-9,11,13,25H,2,5,10H2,1H3,(H,22,26)/t16-;15-;13-;11?,13-/m0000/s1
• InChIKey: BPFMFLWNFZGDMQ-OLGVORDSSA-N
• XLogP: 6.24
• TPSA: 360.79 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 31
• Rotatable Bonds: 16
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1512.75
LogP ≤ 5	6.24
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxyethyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide;N-[(3S)-1-(6-methylimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide;N-[(3S)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide?

The IUPAC name of 5-(1-hydroxyethyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide;N-[(3S)-1-(6-methylimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide;N-[(3S)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide (CID 157419352) is 5-(1-hydroxyethyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide;N-[(3S)-1-(6-methylimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide;N-[(3S)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide.

What is the SMILES notation for 5-(1-hydroxyethyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide;N-[(3S)-1-(6-methylimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide;N-[(3S)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide?

The canonical SMILES for 5-(1-hydroxyethyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide;N-[(3S)-1-(6-methylimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide;N-[(3S)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide is CC(O)c1cnc(C(=O)N[C@H]2CCN(c3nccn4ccnc34)C2)nc1.Cc1cn2ccnc2c(N2CC[C@H](NC(=O)c3cn(-c4ccccc4)cn3)C2)n1.Cc1cn2cnnc2c(N2CC[C@H](NC(=O)c3cn(-c4ccccc4)cn3)C2)n1.O=C(N[C@H]1CCN(c2nccn3ccnc23)C1)c1csc(N2CCCC2)n1.

What is the InChIKey of 5-(1-hydroxyethyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide;N-[(3S)-1-(6-methylimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide;N-[(3S)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide?

The InChIKey is BPFMFLWNFZGDMQ-OLGVORDSSA-N. The full InChI is InChI=1S/C21H21N7O.C20H20N8O.C18H21N7OS.C17H19N7O2/c1-15-11-27-10-8-22-19(27)20(24-15)26-9-7-16(12-26)25-21(29)18-13-28(14-23-18)17-5-3-2-4-6-17;1-14-9-28-13-22-25-19(28)18(23-14)26-8-7-15(10-26)24-20(29)17-11-27(12-21-17)16-5-3-2-4-6-16;26-17(14-12-27-18(22-14)24-6-1-2-7-24)21-13-3-8-25(11-13)16-15-19-4-9-23(15)10-5-20-16;1-11(25)12-8-20-14(21-9-12)17(26)22-13-2-5-24(10-13)16-15-18-3-6-23(15)7-4-19-16/h2-6,8,10-11,13-14,16H,7,9,12H2,1H3,(H,25,29);2-6,9,11-13,15H,7-8,10H2,1H3,(H,24,29);4-5,9-10,12-13H,1-3,6-8,11H2,(H,21,26);3-4,6-9,11,13,25H,2,5,10H2,1H3,(H,22,26)/t16-;15-;13-;11?,13-/m0000/s1.

What are the key properties of 5-(1-hydroxyethyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide;N-[(3S)-1-(6-methylimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide;N-[(3S)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide?

5-(1-hydroxyethyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide;N-[(3S)-1-(6-methylimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide;N-[(3S)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide has a molecular weight of 1512.75 g/mol, XLogP of 6.24, 16 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1-hydroxyethyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide;N-[(3S)-1-(6-methylimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide;N-[(3S)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide is sourced from PubChem (CID 157419352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).