1-butyl-N-ethyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridine-2-carboxamide

C22H21F3N6O2 — CID 138680285

About 1-butyl-N-ethyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridine-2-carboxamide

1-butyl-N-ethyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 138680285) has the molecular formula C22H21F3N6O2 and a molecular weight of 458.44 g/mol. Its IUPAC name is 1-butyl-N-ethyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 1-butyl-N-ethyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridine-2-carboxamide
• PubChem CID: 138680285
• Molecular Formula: C22H21F3N6O2
• Molecular Weight: 458.44 g/mol
• Exact Mass: 458.17
• IUPAC Name: 1-butyl-N-ethyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridine-2-carboxamide
• SMILES: CCCCn1c(C(=O)NCC)cc2cc(-c3cc(-c4noc(C(F)(F)F)n4)ccn3)ncc21
• InChI: InChI=1S/C22H21F3N6O2/c1-3-5-8-31-17(20(32)26-4-2)11-14-10-16(28-12-18(14)31)15-9-13(6-7-27-15)19-29-21(33-30-19)22(23,24)25/h6-7,9-12H,3-5,8H2,1-2H3,(H,26,32)
• InChIKey: GNCBHLPZTPYPTD-UHFFFAOYSA-N
• XLogP: 4.72
• TPSA: 98.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.44
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-ethyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridine-2-carboxamide?

The IUPAC name of 1-butyl-N-ethyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridine-2-carboxamide (CID 138680285) is 1-butyl-N-ethyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridine-2-carboxamide.

What is the SMILES notation for 1-butyl-N-ethyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridine-2-carboxamide?

The canonical SMILES for 1-butyl-N-ethyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridine-2-carboxamide is CCCCn1c(C(=O)NCC)cc2cc(-c3cc(-c4noc(C(F)(F)F)n4)ccn3)ncc21.

What is the InChIKey of 1-butyl-N-ethyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridine-2-carboxamide?

The InChIKey is GNCBHLPZTPYPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N6O2/c1-3-5-8-31-17(20(32)26-4-2)11-14-10-16(28-12-18(14)31)15-9-13(6-7-27-15)19-29-21(33-30-19)22(23,24)25/h6-7,9-12H,3-5,8H2,1-2H3,(H,26,32).

What are the key properties of 1-butyl-N-ethyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridine-2-carboxamide?

1-butyl-N-ethyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 458.44 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-butyl-N-ethyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 138680285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).