1-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-phenyl-1,3-oxazole-4-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide;2-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;2-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide

C97H87FN34O7S2 — CID 160599725

About 1-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-phenyl-1,3-oxazole-4-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide;2-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;2-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide

1-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-phenyl-1,3-oxazole-4-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide;2-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;2-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide (PubChem CID 160599725) has the molecular formula C97H87FN34O7S2 and a molecular weight of 1924.13 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-phenyl-1,3-oxazole-4-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide;2-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;2-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-phenyl-1,3-oxazole-4-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide;2-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;2-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
• PubChem CID: 160599725
• Molecular Formula: C97H87FN34O7S2
• Molecular Weight: 1924.13 g/mol
• Exact Mass: 1922.69
• IUPAC Name: 1-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-phenyl-1,3-oxazole-4-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide;2-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;2-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
• SMILES: O=C(N[C@H]1CCN(c2nccn3ccnc23)C1)c1coc(-c2ccccc2)n1.O=C(N[C@H]1CCN(c2nccn3ccnc23)C1)c1csc(-c2ccccc2)n1.O=C(N[C@H]1CCN(c2nccn3cnnc23)C1)c1coc(-c2ccccc2)n1.O=C(N[C@H]1CCN(c2nccn3cnnc23)C1)c1csc(-c2ccccc2)n1.O=C(N[C@H]1CCN(c2nccn3ncnc23)C1)c1ccn(-c2ccc(F)cc2)n1
• InChI: InChI=1S/C20H18N6O2.C20H18N6OS.C19H17FN8O.C19H17N7O2.C19H17N7OS/c2*27-19(16-13-28-20(24-16)14-4-2-1-3-5-14)23-15-6-9-26(12-15)18-17-21-7-10-25(17)11-8-22-18;20-13-1-3-15(4-2-13)27-9-6-16(25-27)19(29)24-14-5-8-26(11-14)17-18-22-12-23-28(18)10-7-21-17;2*27-18(15-11-28-19(23-15)13-4-2-1-3-5-13)22-14-6-8-25(10-14)16-17-24-21-12-26(17)9-7-20-16/h2*1-5,7-8,10-11,13,15H,6,9,12H2,(H,23,27);1-4,6-7,9-10,12,14H,5,8,11H2,(H,24,29);2*1-5,7,9,11-12,14H,6,8,10H2,(H,22,27)/t2*15-;3*14-/m00000/s1
• InChIKey: RECMGGAELBVMIK-RVAYHOOTSA-N
• XLogP: 10.76
• TPSA: 446.98 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 38
• Rotatable Bonds: 20
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1924.13
LogP ≤ 5	10.76
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-phenyl-1,3-oxazole-4-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide;2-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;2-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide?

The IUPAC name of 1-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-phenyl-1,3-oxazole-4-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide;2-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;2-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide (CID 160599725) is 1-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-phenyl-1,3-oxazole-4-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide;2-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;2-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 1-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-phenyl-1,3-oxazole-4-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide;2-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;2-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide?

The canonical SMILES for 1-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-phenyl-1,3-oxazole-4-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide;2-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;2-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide is O=C(N[C@H]1CCN(c2nccn3ccnc23)C1)c1coc(-c2ccccc2)n1.O=C(N[C@H]1CCN(c2nccn3ccnc23)C1)c1csc(-c2ccccc2)n1.O=C(N[C@H]1CCN(c2nccn3cnnc23)C1)c1coc(-c2ccccc2)n1.O=C(N[C@H]1CCN(c2nccn3cnnc23)C1)c1csc(-c2ccccc2)n1.O=C(N[C@H]1CCN(c2nccn3ncnc23)C1)c1ccn(-c2ccc(F)cc2)n1.

What is the InChIKey of 1-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-phenyl-1,3-oxazole-4-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide;2-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;2-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide?

The InChIKey is RECMGGAELBVMIK-RVAYHOOTSA-N. The full InChI is InChI=1S/C20H18N6O2.C20H18N6OS.C19H17FN8O.C19H17N7O2.C19H17N7OS/c2*27-19(16-13-28-20(24-16)14-4-2-1-3-5-14)23-15-6-9-26(12-15)18-17-21-7-10-25(17)11-8-22-18;20-13-1-3-15(4-2-13)27-9-6-16(25-27)19(29)24-14-5-8-26(11-14)17-18-22-12-23-28(18)10-7-21-17;2*27-18(15-11-28-19(23-15)13-4-2-1-3-5-13)22-14-6-8-25(10-14)16-17-24-21-12-26(17)9-7-20-16/h2*1-5,7-8,10-11,13,15H,6,9,12H2,(H,23,27);1-4,6-7,9-10,12,14H,5,8,11H2,(H,24,29);2*1-5,7,9,11-12,14H,6,8,10H2,(H,22,27)/t2*15-;3*14-/m00000/s1.

What are the key properties of 1-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-phenyl-1,3-oxazole-4-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide;2-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;2-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide?

1-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-phenyl-1,3-oxazole-4-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide;2-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;2-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 1924.13 g/mol, XLogP of 10.76, 20 rotatable bonds, 5 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-phenyl-1,3-oxazole-4-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide;2-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;2-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 160599725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).