1-(5-chloro-2-pyridinyl)-N-[(1S)-3-pyrrolo[1,2-a]pyrazin-1-ylcyclopentyl]pyrazole-3-carboxamide;2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;5-propan-2-yl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide

C99H107ClN32O8S2 — CID 157299266

About 1-(5-chloro-2-pyridinyl)-N-[(1S)-3-pyrrolo[1,2-a]pyrazin-1-ylcyclopentyl]pyrazole-3-carboxamide;2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;5-propan-2-yl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide

1-(5-chloro-2-pyridinyl)-N-[(1S)-3-pyrrolo[1,2-a]pyrazin-1-ylcyclopentyl]pyrazole-3-carboxamide;2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;5-propan-2-yl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide (PubChem CID 157299266) has the molecular formula C99H107ClN32O8S2 and a molecular weight of 1972.75 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-N-[(1S)-3-pyrrolo[1,2-a]pyrazin-1-ylcyclopentyl]pyrazole-3-carboxamide;2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;5-propan-2-yl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: 1-(5-chloro-2-pyridinyl)-N-[(1S)-3-pyrrolo[1,2-a]pyrazin-1-ylcyclopentyl]pyrazole-3-carboxamide;2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;5-propan-2-yl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide
• PubChem CID: 157299266
• Molecular Formula: C99H107ClN32O8S2
• Molecular Weight: 1972.75 g/mol
• Exact Mass: 1970.81
• IUPAC Name: 1-(5-chloro-2-pyridinyl)-N-[(1S)-3-pyrrolo[1,2-a]pyrazin-1-ylcyclopentyl]pyrazole-3-carboxamide;2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;5-propan-2-yl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide
• SMILES: CC(C)c1cnc(C(=O)N[C@H]2CCN(c3nccn4cccc34)C2)nc1.Cc1ccccc1-c1nc(C(=O)N[C@H]2CCN(c3nccn4cccc34)C2)co1.O=C(N[C@H]1CCC(c2nccn3cccc23)C1)c1ccn(-c2ccc(Cl)cn2)n1.O=C(N[C@H]1CCN(c2nccn3ccnc23)C1)c1csc(N2CCC(O)CC2)n1.O=C(N[C@H]1CCN(c2nccn3cnnc23)C1)c1csc(N2CCC(O)CC2)n1
• InChI: InChI=1S/C22H21N5O2.C21H19ClN6O.C19H23N7O2S.C19H22N6O.C18H22N8O2S/c1-15-5-2-3-6-17(15)22-25-18(14-29-22)21(28)24-16-8-11-27(13-16)20-19-7-4-10-26(19)12-9-23-20;22-15-4-6-19(24-13-15)28-10-7-17(26-28)21(29)25-16-5-3-14(12-16)20-18-2-1-9-27(18)11-8-23-20;27-14-2-7-25(8-3-14)19-23-15(12-29-19)18(28)22-13-1-6-26(11-13)17-16-20-4-9-24(16)10-5-21-17;1-13(2)14-10-21-17(22-11-14)19(26)23-15-5-8-25(12-15)18-16-4-3-7-24(16)9-6-20-18;27-13-2-6-24(7-3-13)18-22-14(10-29-18)17(28)21-12-1-5-25(9-12)15-16-23-20-11-26(16)8-4-19-15/h2-7,9-10,12,14,16H,8,11,13H2,1H3,(H,24,28);1-2,4,6-11,13-14,16H,3,5,12H2,(H,25,29);4-5,9-10,12-14,27H,1-3,6-8,11H2,(H,22,28);3-4,6-7,9-11,13,15H,5,8,12H2,1-2H3,(H,23,26);4,8,10-13,27H,1-3,5-7,9H2,(H,21,28)/t16-;14?,16-;13-;15-;12-/m00000/s1
• InChIKey: BBRYSJHXOWLDCY-IIMIUTBISA-N
• XLogP: 10.90
• TPSA: 438.87 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 37
• Rotatable Bonds: 20
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1972.75
LogP ≤ 5	10.90
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-N-[(1S)-3-pyrrolo[1,2-a]pyrazin-1-ylcyclopentyl]pyrazole-3-carboxamide;2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;5-propan-2-yl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide?

The IUPAC name of 1-(5-chloro-2-pyridinyl)-N-[(1S)-3-pyrrolo[1,2-a]pyrazin-1-ylcyclopentyl]pyrazole-3-carboxamide;2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;5-propan-2-yl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide (CID 157299266) is 1-(5-chloro-2-pyridinyl)-N-[(1S)-3-pyrrolo[1,2-a]pyrazin-1-ylcyclopentyl]pyrazole-3-carboxamide;2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;5-propan-2-yl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide.

What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-N-[(1S)-3-pyrrolo[1,2-a]pyrazin-1-ylcyclopentyl]pyrazole-3-carboxamide;2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;5-propan-2-yl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide?

The canonical SMILES for 1-(5-chloro-2-pyridinyl)-N-[(1S)-3-pyrrolo[1,2-a]pyrazin-1-ylcyclopentyl]pyrazole-3-carboxamide;2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;5-propan-2-yl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide is CC(C)c1cnc(C(=O)N[C@H]2CCN(c3nccn4cccc34)C2)nc1.Cc1ccccc1-c1nc(C(=O)N[C@H]2CCN(c3nccn4cccc34)C2)co1.O=C(N[C@H]1CCC(c2nccn3cccc23)C1)c1ccn(-c2ccc(Cl)cn2)n1.O=C(N[C@H]1CCN(c2nccn3ccnc23)C1)c1csc(N2CCC(O)CC2)n1.O=C(N[C@H]1CCN(c2nccn3cnnc23)C1)c1csc(N2CCC(O)CC2)n1.

What is the InChIKey of 1-(5-chloro-2-pyridinyl)-N-[(1S)-3-pyrrolo[1,2-a]pyrazin-1-ylcyclopentyl]pyrazole-3-carboxamide;2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;5-propan-2-yl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide?

The InChIKey is BBRYSJHXOWLDCY-IIMIUTBISA-N. The full InChI is InChI=1S/C22H21N5O2.C21H19ClN6O.C19H23N7O2S.C19H22N6O.C18H22N8O2S/c1-15-5-2-3-6-17(15)22-25-18(14-29-22)21(28)24-16-8-11-27(13-16)20-19-7-4-10-26(19)12-9-23-20;22-15-4-6-19(24-13-15)28-10-7-17(26-28)21(29)25-16-5-3-14(12-16)20-18-2-1-9-27(18)11-8-23-20;27-14-2-7-25(8-3-14)19-23-15(12-29-19)18(28)22-13-1-6-26(11-13)17-16-20-4-9-24(16)10-5-21-17;1-13(2)14-10-21-17(22-11-14)19(26)23-15-5-8-25(12-15)18-16-4-3-7-24(16)9-6-20-18;27-13-2-6-24(7-3-13)18-22-14(10-29-18)17(28)21-12-1-5-25(9-12)15-16-23-20-11-26(16)8-4-19-15/h2-7,9-10,12,14,16H,8,11,13H2,1H3,(H,24,28);1-2,4,6-11,13-14,16H,3,5,12H2,(H,25,29);4-5,9-10,12-14,27H,1-3,6-8,11H2,(H,22,28);3-4,6-7,9-11,13,15H,5,8,12H2,1-2H3,(H,23,26);4,8,10-13,27H,1-3,5-7,9H2,(H,21,28)/t16-;14?,16-;13-;15-;12-/m00000/s1.

What are the key properties of 1-(5-chloro-2-pyridinyl)-N-[(1S)-3-pyrrolo[1,2-a]pyrazin-1-ylcyclopentyl]pyrazole-3-carboxamide;2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;5-propan-2-yl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide?

1-(5-chloro-2-pyridinyl)-N-[(1S)-3-pyrrolo[1,2-a]pyrazin-1-ylcyclopentyl]pyrazole-3-carboxamide;2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;5-propan-2-yl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide has a molecular weight of 1972.75 g/mol, XLogP of 10.90, 20 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-chloro-2-pyridinyl)-N-[(1S)-3-pyrrolo[1,2-a]pyrazin-1-ylcyclopentyl]pyrazole-3-carboxamide;2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;5-propan-2-yl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide is sourced from PubChem (CID 157299266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).