1-[2-[4-[4-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]phenyl]piperidin-1-yl]-2-oxoethyl]-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methoxypyrrolidine-3-carboxamide

C36H39FN8O4 — CID 91236195

About 1-[2-[4-[4-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]phenyl]piperidin-1-yl]-2-oxoethyl]-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methoxypyrrolidine-3-carboxamide

1-[2-[4-[4-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]phenyl]piperidin-1-yl]-2-oxoethyl]-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methoxypyrrolidine-3-carboxamide (PubChem CID 91236195) has the molecular formula C36H39FN8O4 and a molecular weight of 666.76 g/mol. Its IUPAC name is 1-[2-[4-[4-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]phenyl]piperidin-1-yl]-2-oxoethyl]-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methoxypyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[2-[4-[4-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]phenyl]piperidin-1-yl]-2-oxoethyl]-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methoxypyrrolidine-3-carboxamide
• PubChem CID: 91236195
• Molecular Formula: C36H39FN8O4
• Molecular Weight: 666.76 g/mol
• Exact Mass: 666.31
• IUPAC Name: 1-[2-[4-[4-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]phenyl]piperidin-1-yl]-2-oxoethyl]-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methoxypyrrolidine-3-carboxamide
• SMILES: CCNc1nnc(-c2ccc(C3CCN(C(=O)CN4CCC(OC)(C(=O)Nc5ccc6[nH]nc(-c7ccc(F)cc7)c6c5)C4)CC3)cc2)o1
• InChI: InChI=1S/C36H39FN8O4/c1-3-38-35-43-42-33(49-35)26-6-4-23(5-7-26)24-14-17-45(18-15-24)31(46)21-44-19-16-36(22-44,48-2)34(47)39-28-12-13-30-29(20-28)32(41-40-30)25-8-10-27(37)11-9-25/h4-13,20,24H,3,14-19,21-22H2,1-2H3,(H,38,43)(H,39,47)(H,40,41)
• InChIKey: CXILTMXOGJCWOZ-UHFFFAOYSA-N
• XLogP: 5.29
• TPSA: 141.51 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	666.76
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[4-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]phenyl]piperidin-1-yl]-2-oxoethyl]-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methoxypyrrolidine-3-carboxamide?

The IUPAC name of 1-[2-[4-[4-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]phenyl]piperidin-1-yl]-2-oxoethyl]-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methoxypyrrolidine-3-carboxamide (CID 91236195) is 1-[2-[4-[4-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]phenyl]piperidin-1-yl]-2-oxoethyl]-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methoxypyrrolidine-3-carboxamide.

What is the SMILES notation for 1-[2-[4-[4-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]phenyl]piperidin-1-yl]-2-oxoethyl]-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methoxypyrrolidine-3-carboxamide?

The canonical SMILES for 1-[2-[4-[4-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]phenyl]piperidin-1-yl]-2-oxoethyl]-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methoxypyrrolidine-3-carboxamide is CCNc1nnc(-c2ccc(C3CCN(C(=O)CN4CCC(OC)(C(=O)Nc5ccc6[nH]nc(-c7ccc(F)cc7)c6c5)C4)CC3)cc2)o1.

What is the InChIKey of 1-[2-[4-[4-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]phenyl]piperidin-1-yl]-2-oxoethyl]-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methoxypyrrolidine-3-carboxamide?

The InChIKey is CXILTMXOGJCWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H39FN8O4/c1-3-38-35-43-42-33(49-35)26-6-4-23(5-7-26)24-14-17-45(18-15-24)31(46)21-44-19-16-36(22-44,48-2)34(47)39-28-12-13-30-29(20-28)32(41-40-30)25-8-10-27(37)11-9-25/h4-13,20,24H,3,14-19,21-22H2,1-2H3,(H,38,43)(H,39,47)(H,40,41).

What are the key properties of 1-[2-[4-[4-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]phenyl]piperidin-1-yl]-2-oxoethyl]-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methoxypyrrolidine-3-carboxamide?

1-[2-[4-[4-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]phenyl]piperidin-1-yl]-2-oxoethyl]-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methoxypyrrolidine-3-carboxamide has a molecular weight of 666.76 g/mol, XLogP of 5.29, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[4-[4-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]phenyl]piperidin-1-yl]-2-oxoethyl]-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methoxypyrrolidine-3-carboxamide is sourced from PubChem (CID 91236195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).