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

C24H29F3N6O2 — CID 166562320

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

trans-(1R,2R)-2-methyl-N-[[3-[4-[(1-methylpiperidin-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]cyclopropane-1-carboxamide (PubChem CID 166562320) has the molecular formula C24H29F3N6O2 and a molecular weight of 490.53 g/mol. Its IUPAC name is trans-(1R,2R)-2-methyl-N-[[3-[4-[(1-methylpiperidin-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: trans-(1R,2R)-2-methyl-N-[[3-[4-[(1-methylpiperidin-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]cyclopropane-1-carboxamide
• PubChem CID: 166562320
• Molecular Formula: C24H29F3N6O2
• Molecular Weight: 490.53 g/mol
• Exact Mass: 490.23
• IUPAC Name: trans-(1R,2R)-2-methyl-N-[[3-[4-[(1-methylpiperidin-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]cyclopropane-1-carboxamide
• SMILES: C[C@@H]1C[C@H]1C(=O)NCc1nc(-c2cc3c(NC4CCN(C)CC4)cccc3n2CC(F)(F)F)no1
• InChI: InChI=1S/C24H29F3N6O2/c1-14-10-16(14)23(34)28-12-21-30-22(31-35-21)20-11-17-18(29-15-6-8-32(2)9-7-15)4-3-5-19(17)33(20)13-24(25,26)27/h3-5,11,14-16,29H,6-10,12-13H2,1-2H3,(H,28,34)/t14-,16-/m1/s1
• InChIKey: SUGUQNMBSVNELW-GDBMZVCRSA-N
• XLogP: 4.03
• TPSA: 88.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.53
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of trans-(1R,2R)-2-methyl-N-[[3-[4-[(1-methylpiperidin-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]cyclopropane-1-carboxamide (CID 166562320) is trans-(1R,2R)-2-methyl-N-[[3-[4-[(1-methylpiperidin-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]cyclopropane-1-carboxamide.

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

The canonical SMILES for trans-(1R,2R)-2-methyl-N-[[3-[4-[(1-methylpiperidin-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]cyclopropane-1-carboxamide is C[C@@H]1C[C@H]1C(=O)NCc1nc(-c2cc3c(NC4CCN(C)CC4)cccc3n2CC(F)(F)F)no1.

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

The InChIKey is SUGUQNMBSVNELW-GDBMZVCRSA-N. The full InChI is InChI=1S/C24H29F3N6O2/c1-14-10-16(14)23(34)28-12-21-30-22(31-35-21)20-11-17-18(29-15-6-8-32(2)9-7-15)4-3-5-19(17)33(20)13-24(25,26)27/h3-5,11,14-16,29H,6-10,12-13H2,1-2H3,(H,28,34)/t14-,16-/m1/s1.

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

trans-(1R,2R)-2-methyl-N-[[3-[4-[(1-methylpiperidin-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]cyclopropane-1-carboxamide has a molecular weight of 490.53 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for trans-(1R,2R)-2-methyl-N-[[3-[4-[(1-methylpiperidin-4-yl)amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 166562320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).