1-methyl-N-[[5-[4-[(1-methylpiperidin-4-yl)amino]-1-(1,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-3-yl]methyl]pyrazole-4-carboxamide

C24H27F3N8O2 — CID 175459710

About 1-methyl-N-[[5-[4-[(1-methylpiperidin-4-yl)amino]-1-(1,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-3-yl]methyl]pyrazole-4-carboxamide

1-methyl-N-[[5-[4-[(1-methylpiperidin-4-yl)amino]-1-(1,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-3-yl]methyl]pyrazole-4-carboxamide (PubChem CID 175459710) has the molecular formula C24H27F3N8O2 and a molecular weight of 516.53 g/mol. Its IUPAC name is 1-methyl-N-[[5-[4-[(1-methylpiperidin-4-yl)amino]-1-(1,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-3-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-methyl-N-[[5-[4-[(1-methylpiperidin-4-yl)amino]-1-(1,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-3-yl]methyl]pyrazole-4-carboxamide
• PubChem CID: 175459710
• Molecular Formula: C24H27F3N8O2
• Molecular Weight: 516.53 g/mol
• Exact Mass: 516.22
• IUPAC Name: 1-methyl-N-[[5-[4-[(1-methylpiperidin-4-yl)amino]-1-(1,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-3-yl]methyl]pyrazole-4-carboxamide
• SMILES: CN1CCC(Nc2cccc3c2cc(-c2nc(CNC(=O)c4cnn(C)c4)no2)n3C(F)C(F)F)CC1
• InChI: InChI=1S/C24H27F3N8O2/c1-33-8-6-15(7-9-33)30-17-4-3-5-18-16(17)10-19(35(18)22(27)21(25)26)24-31-20(32-37-24)12-28-23(36)14-11-29-34(2)13-14/h3-5,10-11,13,15,21-22,30H,6-9,12H2,1-2H3,(H,28,36)
• InChIKey: ILUPOOLGWSPEOB-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 106.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.53
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[5-[4-[(1-methylpiperidin-4-yl)amino]-1-(1,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-3-yl]methyl]pyrazole-4-carboxamide?

The IUPAC name of 1-methyl-N-[[5-[4-[(1-methylpiperidin-4-yl)amino]-1-(1,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-3-yl]methyl]pyrazole-4-carboxamide (CID 175459710) is 1-methyl-N-[[5-[4-[(1-methylpiperidin-4-yl)amino]-1-(1,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-3-yl]methyl]pyrazole-4-carboxamide.

What is the SMILES notation for 1-methyl-N-[[5-[4-[(1-methylpiperidin-4-yl)amino]-1-(1,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-3-yl]methyl]pyrazole-4-carboxamide?

The canonical SMILES for 1-methyl-N-[[5-[4-[(1-methylpiperidin-4-yl)amino]-1-(1,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-3-yl]methyl]pyrazole-4-carboxamide is CN1CCC(Nc2cccc3c2cc(-c2nc(CNC(=O)c4cnn(C)c4)no2)n3C(F)C(F)F)CC1.

What is the InChIKey of 1-methyl-N-[[5-[4-[(1-methylpiperidin-4-yl)amino]-1-(1,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-3-yl]methyl]pyrazole-4-carboxamide?

The InChIKey is ILUPOOLGWSPEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N8O2/c1-33-8-6-15(7-9-33)30-17-4-3-5-18-16(17)10-19(35(18)22(27)21(25)26)24-31-20(32-37-24)12-28-23(36)14-11-29-34(2)13-14/h3-5,10-11,13,15,21-22,30H,6-9,12H2,1-2H3,(H,28,36).

What are the key properties of 1-methyl-N-[[5-[4-[(1-methylpiperidin-4-yl)amino]-1-(1,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-3-yl]methyl]pyrazole-4-carboxamide?

1-methyl-N-[[5-[4-[(1-methylpiperidin-4-yl)amino]-1-(1,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-3-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 516.53 g/mol, XLogP of 3.59, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-N-[[5-[4-[(1-methylpiperidin-4-yl)amino]-1-(1,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-3-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 175459710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).