5-(4-chlorophenyl)-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,2,4-oxadiazole-3-carboxamide;1-(3-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;1-(2-methylphenyl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole-3-carboxamide;N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-5-phenylpyrimidine-2-carboxamide

C106H100ClFN32O7 — CID 158853766

About 5-(4-chlorophenyl)-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,2,4-oxadiazole-3-carboxamide;1-(3-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;1-(2-methylphenyl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole-3-carboxamide;N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-5-phenylpyrimidine-2-carboxamide

5-(4-chlorophenyl)-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,2,4-oxadiazole-3-carboxamide;1-(3-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;1-(2-methylphenyl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole-3-carboxamide;N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-5-phenylpyrimidine-2-carboxamide (PubChem CID 158853766) has the molecular formula C106H100ClFN32O7 and a molecular weight of 1988.63 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,2,4-oxadiazole-3-carboxamide;1-(3-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;1-(2-methylphenyl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole-3-carboxamide;N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-5-phenylpyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: 5-(4-chlorophenyl)-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,2,4-oxadiazole-3-carboxamide;1-(3-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;1-(2-methylphenyl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole-3-carboxamide;N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-5-phenylpyrimidine-2-carboxamide
• PubChem CID: 158853766
• Molecular Formula: C106H100ClFN32O7
• Molecular Weight: 1988.63 g/mol
• Exact Mass: 1986.81
• IUPAC Name: 5-(4-chlorophenyl)-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,2,4-oxadiazole-3-carboxamide;1-(3-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;1-(2-methylphenyl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole-3-carboxamide;N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-5-phenylpyrimidine-2-carboxamide
• SMILES: Cc1ccccc1-n1ccc(C(=O)N[C@H]2CCN(c3nccn4ccc(C)c34)C2)n1.Cc1ccn2ccnc(N3CC[C@H](NC(=O)c4ncc(-c5ccccc5)cn4)C3)c12.Cc1ccn2ccnc(N3CC[C@H](NC(=O)c4noc(-c5ccccc5)n4)C3)c12.O=C(N[C@H]1CCN(c2nccn3cccc23)C1)c1ccn(-c2cccc(F)c2)n1.O=C(N[C@H]1CCN(c2nccn3cnnc23)C1)c1noc(-c2ccc(Cl)cc2)n1
• InChI: InChI=1S/C23H24N6O.C23H22N6O.C21H19FN6O.C21H20N6O2.C18H15ClN8O2/c1-16-5-3-4-6-20(16)29-13-9-19(26-29)23(30)25-18-8-12-28(15-18)22-21-17(2)7-11-27(21)14-10-24-22;1-16-7-10-28-12-9-24-22(20(16)28)29-11-8-19(15-29)27-23(30)21-25-13-18(14-26-21)17-5-3-2-4-6-17;22-15-3-1-4-17(13-15)28-11-7-18(25-28)21(29)24-16-6-10-27(14-16)20-19-5-2-9-26(19)12-8-23-20;1-14-7-10-26-12-9-22-19(17(14)26)27-11-8-16(13-27)23-20(28)18-24-21(29-25-18)15-5-3-2-4-6-15;19-12-3-1-11(2-4-12)18-23-14(25-29-18)17(28)22-13-5-7-26(9-13)15-16-24-21-10-27(16)8-6-20-15/h3-7,9-11,13-14,18H,8,12,15H2,1-2H3,(H,25,30);2-7,9-10,12-14,19H,8,11,15H2,1H3,(H,27,30);1-5,7-9,11-13,16H,6,10,14H2,(H,24,29);2-7,9-10,12,16H,8,11,13H2,1H3,(H,23,28);1-4,6,8,10,13H,5,7,9H2,(H,22,28)/t18-;19-;2*16-;13-/m00000/s1
• InChIKey: IZTYWUKIIPMZIW-XVQIMGFISA-N
• XLogP: 13.46
• TPSA: 413.24 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 34
• Rotatable Bonds: 20
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1988.63
LogP ≤ 5	13.46
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,2,4-oxadiazole-3-carboxamide;1-(3-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;1-(2-methylphenyl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole-3-carboxamide;N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-5-phenylpyrimidine-2-carboxamide?

The IUPAC name of 5-(4-chlorophenyl)-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,2,4-oxadiazole-3-carboxamide;1-(3-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;1-(2-methylphenyl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole-3-carboxamide;N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-5-phenylpyrimidine-2-carboxamide (CID 158853766) is 5-(4-chlorophenyl)-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,2,4-oxadiazole-3-carboxamide;1-(3-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;1-(2-methylphenyl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole-3-carboxamide;N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-5-phenylpyrimidine-2-carboxamide.

What is the SMILES notation for 5-(4-chlorophenyl)-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,2,4-oxadiazole-3-carboxamide;1-(3-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;1-(2-methylphenyl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole-3-carboxamide;N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-5-phenylpyrimidine-2-carboxamide?

The canonical SMILES for 5-(4-chlorophenyl)-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,2,4-oxadiazole-3-carboxamide;1-(3-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;1-(2-methylphenyl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole-3-carboxamide;N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-5-phenylpyrimidine-2-carboxamide is Cc1ccccc1-n1ccc(C(=O)N[C@H]2CCN(c3nccn4ccc(C)c34)C2)n1.Cc1ccn2ccnc(N3CC[C@H](NC(=O)c4ncc(-c5ccccc5)cn4)C3)c12.Cc1ccn2ccnc(N3CC[C@H](NC(=O)c4noc(-c5ccccc5)n4)C3)c12.O=C(N[C@H]1CCN(c2nccn3cccc23)C1)c1ccn(-c2cccc(F)c2)n1.O=C(N[C@H]1CCN(c2nccn3cnnc23)C1)c1noc(-c2ccc(Cl)cc2)n1.

What is the InChIKey of 5-(4-chlorophenyl)-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,2,4-oxadiazole-3-carboxamide;1-(3-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;1-(2-methylphenyl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole-3-carboxamide;N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-5-phenylpyrimidine-2-carboxamide?

The InChIKey is IZTYWUKIIPMZIW-XVQIMGFISA-N. The full InChI is InChI=1S/C23H24N6O.C23H22N6O.C21H19FN6O.C21H20N6O2.C18H15ClN8O2/c1-16-5-3-4-6-20(16)29-13-9-19(26-29)23(30)25-18-8-12-28(15-18)22-21-17(2)7-11-27(21)14-10-24-22;1-16-7-10-28-12-9-24-22(20(16)28)29-11-8-19(15-29)27-23(30)21-25-13-18(14-26-21)17-5-3-2-4-6-17;22-15-3-1-4-17(13-15)28-11-7-18(25-28)21(29)24-16-6-10-27(14-16)20-19-5-2-9-26(19)12-8-23-20;1-14-7-10-26-12-9-22-19(17(14)26)27-11-8-16(13-27)23-20(28)18-24-21(29-25-18)15-5-3-2-4-6-15;19-12-3-1-11(2-4-12)18-23-14(25-29-18)17(28)22-13-5-7-26(9-13)15-16-24-21-10-27(16)8-6-20-15/h3-7,9-11,13-14,18H,8,12,15H2,1-2H3,(H,25,30);2-7,9-10,12-14,19H,8,11,15H2,1H3,(H,27,30);1-5,7-9,11-13,16H,6,10,14H2,(H,24,29);2-7,9-10,12,16H,8,11,13H2,1H3,(H,23,28);1-4,6,8,10,13H,5,7,9H2,(H,22,28)/t18-;19-;2*16-;13-/m00000/s1.

What are the key properties of 5-(4-chlorophenyl)-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,2,4-oxadiazole-3-carboxamide;1-(3-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;1-(2-methylphenyl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole-3-carboxamide;N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-5-phenylpyrimidine-2-carboxamide?

5-(4-chlorophenyl)-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,2,4-oxadiazole-3-carboxamide;1-(3-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;1-(2-methylphenyl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole-3-carboxamide;N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-5-phenylpyrimidine-2-carboxamide has a molecular weight of 1988.63 g/mol, XLogP of 13.46, 20 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-chlorophenyl)-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,2,4-oxadiazole-3-carboxamide;1-(3-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;1-(2-methylphenyl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole-3-carboxamide;N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-5-phenylpyrimidine-2-carboxamide is sourced from PubChem (CID 158853766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).