2-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-5-[3-(2-methylindazol-5-yl)-1H-indazol-5-yl]-1,3-oxazole;2-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]-5-[(3R)-1-[(1-methylindol-2-yl)methyl]piperidin-3-yl]-1,3,4-oxadiazole;2-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]-5-[(3R)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-1,3,4-oxadiazole

C97H91FN20O4 — CID 158166642

About 2-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-5-[3-(2-methylindazol-5-yl)-1H-indazol-5-yl]-1,3-oxazole;2-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]-5-[(3R)-1-[(1-methylindol-2-yl)methyl]piperidin-3-yl]-1,3,4-oxadiazole;2-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]-5-[(3R)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-1,3,4-oxadiazole

2-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-5-[3-(2-methylindazol-5-yl)-1H-indazol-5-yl]-1,3-oxazole;2-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]-5-[(3R)-1-[(1-methylindol-2-yl)methyl]piperidin-3-yl]-1,3,4-oxadiazole;2-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]-5-[(3R)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-1,3,4-oxadiazole (PubChem CID 158166642) has the molecular formula C97H91FN20O4 and a molecular weight of 1619.93 g/mol. Its IUPAC name is 2-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-5-[3-(2-methylindazol-5-yl)-1H-indazol-5-yl]-1,3-oxazole;2-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]-5-[(3R)-1-[(1-methylindol-2-yl)methyl]piperidin-3-yl]-1,3,4-oxadiazole;2-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]-5-[(3R)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-5-[3-(2-methylindazol-5-yl)-1H-indazol-5-yl]-1,3-oxazole;2-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]-5-[(3R)-1-[(1-methylindol-2-yl)methyl]piperidin-3-yl]-1,3,4-oxadiazole;2-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]-5-[(3R)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-1,3,4-oxadiazole
• PubChem CID: 158166642
• Molecular Formula: C97H91FN20O4
• Molecular Weight: 1619.93 g/mol
• Exact Mass: 1618.75
• IUPAC Name: 2-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-5-[3-(2-methylindazol-5-yl)-1H-indazol-5-yl]-1,3-oxazole;2-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]-5-[(3R)-1-[(1-methylindol-2-yl)methyl]piperidin-3-yl]-1,3,4-oxadiazole;2-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]-5-[(3R)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-1,3,4-oxadiazole
• SMILES: COc1cccc(F)c1CN1CCC[C@@H](c2ncc(-c3ccc4[nH]nc(-c5ccc6nn(C)cc6c5)c4c3)o2)C1.Cn1cc2cc(C3=NCc4ccc(-c5nnc([C@@H]6CCCN(Cc7cc8ccccc8n7C)C6)o5)cc43)ccc2n1.Cn1cc2cc(C3=NCc4ccc(-c5nnc([C@@H]6CCCN(Cc7cn(C)c8ccccc78)C6)o5)cc43)ccc2n1
• InChI: InChI=1S/2C33H31N7O.C31H29FN6O2/c1-38-17-26(27-7-3-4-8-30(27)38)20-40-13-5-6-24(19-40)33-36-35-32(41-33)22-9-10-23-16-34-31(28(23)15-22)21-11-12-29-25(14-21)18-39(2)37-29;1-38-18-26-14-22(11-12-29(26)37-38)31-28-16-23(9-10-24(28)17-34-31)32-35-36-33(41-32)25-7-5-13-40(19-25)20-27-15-21-6-3-4-8-30(21)39(27)2;1-37-16-22-13-20(9-10-26(22)36-37)30-23-14-19(8-11-27(23)34-35-30)29-15-33-31(40-29)21-5-4-12-38(17-21)18-24-25(32)6-3-7-28(24)39-2/h3-4,7-12,14-15,17-18,24H,5-6,13,16,19-20H2,1-2H3;3-4,6,8-12,14-16,18,25H,5,7,13,17,19-20H2,1-2H3;3,6-11,13-16,21H,4-5,12,17-18H2,1-2H3,(H,34,35)/t24-;25-;21-/m111/s1
• InChIKey: FWXQDOFFSKPIOL-AAJFZQNUSA-N
• XLogP: 17.99
• TPSA: 239.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 23
• Rotatable Bonds: 16
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1619.93
LogP ≤ 5	17.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-5-[3-(2-methylindazol-5-yl)-1H-indazol-5-yl]-1,3-oxazole;2-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]-5-[(3R)-1-[(1-methylindol-2-yl)methyl]piperidin-3-yl]-1,3,4-oxadiazole;2-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]-5-[(3R)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-1,3,4-oxadiazole?

The IUPAC name of 2-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-5-[3-(2-methylindazol-5-yl)-1H-indazol-5-yl]-1,3-oxazole;2-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]-5-[(3R)-1-[(1-methylindol-2-yl)methyl]piperidin-3-yl]-1,3,4-oxadiazole;2-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]-5-[(3R)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-1,3,4-oxadiazole (CID 158166642) is 2-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-5-[3-(2-methylindazol-5-yl)-1H-indazol-5-yl]-1,3-oxazole;2-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]-5-[(3R)-1-[(1-methylindol-2-yl)methyl]piperidin-3-yl]-1,3,4-oxadiazole;2-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]-5-[(3R)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-1,3,4-oxadiazole.

What is the SMILES notation for 2-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-5-[3-(2-methylindazol-5-yl)-1H-indazol-5-yl]-1,3-oxazole;2-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]-5-[(3R)-1-[(1-methylindol-2-yl)methyl]piperidin-3-yl]-1,3,4-oxadiazole;2-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]-5-[(3R)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-1,3,4-oxadiazole?

The canonical SMILES for 2-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-5-[3-(2-methylindazol-5-yl)-1H-indazol-5-yl]-1,3-oxazole;2-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]-5-[(3R)-1-[(1-methylindol-2-yl)methyl]piperidin-3-yl]-1,3,4-oxadiazole;2-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]-5-[(3R)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-1,3,4-oxadiazole is COc1cccc(F)c1CN1CCC[C@@H](c2ncc(-c3ccc4[nH]nc(-c5ccc6nn(C)cc6c5)c4c3)o2)C1.Cn1cc2cc(C3=NCc4ccc(-c5nnc([C@@H]6CCCN(Cc7cc8ccccc8n7C)C6)o5)cc43)ccc2n1.Cn1cc2cc(C3=NCc4ccc(-c5nnc([C@@H]6CCCN(Cc7cn(C)c8ccccc78)C6)o5)cc43)ccc2n1.

What is the InChIKey of 2-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-5-[3-(2-methylindazol-5-yl)-1H-indazol-5-yl]-1,3-oxazole;2-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]-5-[(3R)-1-[(1-methylindol-2-yl)methyl]piperidin-3-yl]-1,3,4-oxadiazole;2-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]-5-[(3R)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-1,3,4-oxadiazole?

The InChIKey is FWXQDOFFSKPIOL-AAJFZQNUSA-N. The full InChI is InChI=1S/2C33H31N7O.C31H29FN6O2/c1-38-17-26(27-7-3-4-8-30(27)38)20-40-13-5-6-24(19-40)33-36-35-32(41-33)22-9-10-23-16-34-31(28(23)15-22)21-11-12-29-25(14-21)18-39(2)37-29;1-38-18-26-14-22(11-12-29(26)37-38)31-28-16-23(9-10-24(28)17-34-31)32-35-36-33(41-32)25-7-5-13-40(19-25)20-27-15-21-6-3-4-8-30(21)39(27)2;1-37-16-22-13-20(9-10-26(22)36-37)30-23-14-19(8-11-27(23)34-35-30)29-15-33-31(40-29)21-5-4-12-38(17-21)18-24-25(32)6-3-7-28(24)39-2/h3-4,7-12,14-15,17-18,24H,5-6,13,16,19-20H2,1-2H3;3-4,6,8-12,14-16,18,25H,5,7,13,17,19-20H2,1-2H3;3,6-11,13-16,21H,4-5,12,17-18H2,1-2H3,(H,34,35)/t24-;25-;21-/m111/s1.

What are the key properties of 2-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-5-[3-(2-methylindazol-5-yl)-1H-indazol-5-yl]-1,3-oxazole;2-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]-5-[(3R)-1-[(1-methylindol-2-yl)methyl]piperidin-3-yl]-1,3,4-oxadiazole;2-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]-5-[(3R)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-1,3,4-oxadiazole?

2-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-5-[3-(2-methylindazol-5-yl)-1H-indazol-5-yl]-1,3-oxazole;2-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]-5-[(3R)-1-[(1-methylindol-2-yl)methyl]piperidin-3-yl]-1,3,4-oxadiazole;2-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]-5-[(3R)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-1,3,4-oxadiazole has a molecular weight of 1619.93 g/mol, XLogP of 17.99, 16 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-5-[3-(2-methylindazol-5-yl)-1H-indazol-5-yl]-1,3-oxazole;2-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]-5-[(3R)-1-[(1-methylindol-2-yl)methyl]piperidin-3-yl]-1,3,4-oxadiazole;2-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]-5-[(3R)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 158166642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).