1-(4-chlorophenyl)-N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;5-cyclopropyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;2-(4-fluorophenyl)-N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-2H-imidazole-4-carboxamide;5-(4-fluorophenyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazine-2-carboxamide;N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide;5-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazine-2-carboxamide

C125H130ClF2N39O11S — CID 160635947

About 1-(4-chlorophenyl)-N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;5-cyclopropyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;2-(4-fluorophenyl)-N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-2H-imidazole-4-carboxamide;5-(4-fluorophenyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazine-2-carboxamide;N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide;5-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazine-2-carboxamide

1-(4-chlorophenyl)-N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;5-cyclopropyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;2-(4-fluorophenyl)-N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-2H-imidazole-4-carboxamide;5-(4-fluorophenyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazine-2-carboxamide;N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide;5-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazine-2-carboxamide (PubChem CID 160635947) has the molecular formula C125H130ClF2N39O11S and a molecular weight of 2460.19 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;5-cyclopropyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;2-(4-fluorophenyl)-N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-2H-imidazole-4-carboxamide;5-(4-fluorophenyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazine-2-carboxamide;N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide;5-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 1-(4-chlorophenyl)-N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;5-cyclopropyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;2-(4-fluorophenyl)-N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-2H-imidazole-4-carboxamide;5-(4-fluorophenyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazine-2-carboxamide;N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide;5-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazine-2-carboxamide
• PubChem CID: 160635947
• Molecular Formula: C125H130ClF2N39O11S
• Molecular Weight: 2460.19 g/mol
• Exact Mass: 2458.02
• IUPAC Name: 1-(4-chlorophenyl)-N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;5-cyclopropyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;2-(4-fluorophenyl)-N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-2H-imidazole-4-carboxamide;5-(4-fluorophenyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazine-2-carboxamide;N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide;5-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazine-2-carboxamide
• SMILES: O=C(NC1(CO)CCN(c2nccn3cccc23)C1)C1=NC(c2ccc(F)cc2)N=C1.O=C(NC1(CO)CCN(c2nccn3cccc23)C1)c1ccn(-c2ccc(Cl)cc2)n1.O=C(NC1(CO)CCN(c2nccn3cccc23)C1)c1csc(N2CCC(O)CC2)n1.O=C(N[C@H]1CCN(c2nccn3cccc23)C1)c1ncc(C2CC2)cn1.O=C(N[C@H]1CCN(c2nccn3ccnc23)C1)c1cnc(-c2ccc(F)cc2)cn1.O=C(N[C@H]1CCN(c2nccn3ccnc23)C1)c1cnc(N2CCC(O)CC2)cn1
• InChI: InChI=1S/C22H21ClN6O2.C22H21FN6O2.C21H18FN7O.C21H26N6O3S.C20H24N8O2.C19H20N6O/c23-16-3-5-17(6-4-16)29-11-7-18(26-29)21(31)25-22(15-30)8-12-28(14-22)20-19-2-1-10-27(19)13-9-24-20;23-16-5-3-15(4-6-16)19-25-12-17(26-19)21(31)27-22(14-30)7-10-29(13-22)20-18-2-1-9-28(18)11-8-24-20;22-15-3-1-14(2-4-15)17-11-26-18(12-25-17)21(30)27-16-5-8-29(13-16)20-19-23-6-9-28(19)10-7-24-20;28-14-21(5-10-27(13-21)18-17-2-1-7-25(17)11-6-22-18)24-19(30)16-12-31-20(23-16)26-8-3-15(29)4-9-26;29-15-2-7-26(8-3-15)17-12-23-16(11-24-17)20(30)25-14-1-6-28(13-14)19-18-21-4-9-27(18)10-5-22-19;26-19(17-21-10-14(11-22-17)13-3-4-13)23-15-5-8-25(12-15)18-16-2-1-7-24(16)9-6-20-18/h1-7,9-11,13,30H,8,12,14-15H2,(H,25,31);1-6,8-9,11-12,19,30H,7,10,13-14H2,(H,27,31);1-4,6-7,9-12,16H,5,8,13H2,(H,27,30);1-2,6-7,11-12,15,28-29H,3-5,8-10,13-14H2,(H,24,30);4-5,9-12,14-15,29H,1-3,6-8,13H2,(H,25,30);1-2,6-7,9-11,13,15H,3-5,8,12H2,(H,23,26)/t;;16-;;14-;15-/m..0.00/s1
• InChIKey: RINORRVQOHXXCM-DHPMDMPOSA-N
• XLogP: 10.26
• TPSA: 564.02 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 45
• Rotatable Bonds: 27
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2460.19
LogP ≤ 5	10.26
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	45

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;5-cyclopropyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;2-(4-fluorophenyl)-N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-2H-imidazole-4-carboxamide;5-(4-fluorophenyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazine-2-carboxamide;N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide;5-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazine-2-carboxamide?

The IUPAC name of 1-(4-chlorophenyl)-N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;5-cyclopropyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;2-(4-fluorophenyl)-N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-2H-imidazole-4-carboxamide;5-(4-fluorophenyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazine-2-carboxamide;N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide;5-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazine-2-carboxamide (CID 160635947) is 1-(4-chlorophenyl)-N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;5-cyclopropyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;2-(4-fluorophenyl)-N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-2H-imidazole-4-carboxamide;5-(4-fluorophenyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazine-2-carboxamide;N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide;5-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazine-2-carboxamide.

What is the SMILES notation for 1-(4-chlorophenyl)-N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;5-cyclopropyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;2-(4-fluorophenyl)-N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-2H-imidazole-4-carboxamide;5-(4-fluorophenyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazine-2-carboxamide;N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide;5-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazine-2-carboxamide?

The canonical SMILES for 1-(4-chlorophenyl)-N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;5-cyclopropyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;2-(4-fluorophenyl)-N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-2H-imidazole-4-carboxamide;5-(4-fluorophenyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazine-2-carboxamide;N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide;5-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazine-2-carboxamide is O=C(NC1(CO)CCN(c2nccn3cccc23)C1)C1=NC(c2ccc(F)cc2)N=C1.O=C(NC1(CO)CCN(c2nccn3cccc23)C1)c1ccn(-c2ccc(Cl)cc2)n1.O=C(NC1(CO)CCN(c2nccn3cccc23)C1)c1csc(N2CCC(O)CC2)n1.O=C(N[C@H]1CCN(c2nccn3cccc23)C1)c1ncc(C2CC2)cn1.O=C(N[C@H]1CCN(c2nccn3ccnc23)C1)c1cnc(-c2ccc(F)cc2)cn1.O=C(N[C@H]1CCN(c2nccn3ccnc23)C1)c1cnc(N2CCC(O)CC2)cn1.

What is the InChIKey of 1-(4-chlorophenyl)-N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;5-cyclopropyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;2-(4-fluorophenyl)-N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-2H-imidazole-4-carboxamide;5-(4-fluorophenyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazine-2-carboxamide;N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide;5-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazine-2-carboxamide?

The InChIKey is RINORRVQOHXXCM-DHPMDMPOSA-N. The full InChI is InChI=1S/C22H21ClN6O2.C22H21FN6O2.C21H18FN7O.C21H26N6O3S.C20H24N8O2.C19H20N6O/c23-16-3-5-17(6-4-16)29-11-7-18(26-29)21(31)25-22(15-30)8-12-28(14-22)20-19-2-1-10-27(19)13-9-24-20;23-16-5-3-15(4-6-16)19-25-12-17(26-19)21(31)27-22(14-30)7-10-29(13-22)20-18-2-1-9-28(18)11-8-24-20;22-15-3-1-14(2-4-15)17-11-26-18(12-25-17)21(30)27-16-5-8-29(13-16)20-19-23-6-9-28(19)10-7-24-20;28-14-21(5-10-27(13-21)18-17-2-1-7-25(17)11-6-22-18)24-19(30)16-12-31-20(23-16)26-8-3-15(29)4-9-26;29-15-2-7-26(8-3-15)17-12-23-16(11-24-17)20(30)25-14-1-6-28(13-14)19-18-21-4-9-27(18)10-5-22-19;26-19(17-21-10-14(11-22-17)13-3-4-13)23-15-5-8-25(12-15)18-16-2-1-7-24(16)9-6-20-18/h1-7,9-11,13,30H,8,12,14-15H2,(H,25,31);1-6,8-9,11-12,19,30H,7,10,13-14H2,(H,27,31);1-4,6-7,9-12,16H,5,8,13H2,(H,27,30);1-2,6-7,11-12,15,28-29H,3-5,8-10,13-14H2,(H,24,30);4-5,9-12,14-15,29H,1-3,6-8,13H2,(H,25,30);1-2,6-7,9-11,13,15H,3-5,8,12H2,(H,23,26)/t;;16-;;14-;15-/m..0.00/s1.

What are the key properties of 1-(4-chlorophenyl)-N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;5-cyclopropyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;2-(4-fluorophenyl)-N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-2H-imidazole-4-carboxamide;5-(4-fluorophenyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazine-2-carboxamide;N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide;5-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazine-2-carboxamide?

1-(4-chlorophenyl)-N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;5-cyclopropyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;2-(4-fluorophenyl)-N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-2H-imidazole-4-carboxamide;5-(4-fluorophenyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazine-2-carboxamide;N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide;5-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazine-2-carboxamide has a molecular weight of 2460.19 g/mol, XLogP of 10.26, 27 rotatable bonds, 11 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chlorophenyl)-N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;5-cyclopropyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;2-(4-fluorophenyl)-N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-2H-imidazole-4-carboxamide;5-(4-fluorophenyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazine-2-carboxamide;N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide;5-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 160635947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).