3-(1-methylpyrazol-3-yl)-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid

C22H20F3N5O3 — CID 155869533

About 3-(1-methylpyrazol-3-yl)-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid

3-(1-methylpyrazol-3-yl)-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155869533) has the molecular formula C22H20F3N5O3 and a molecular weight of 459.43 g/mol. Its IUPAC name is 3-(1-methylpyrazol-3-yl)-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 3-(1-methylpyrazol-3-yl)-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 155869533
• Molecular Formula: C22H20F3N5O3
• Molecular Weight: 459.43 g/mol
• Exact Mass: 459.15
• IUPAC Name: 3-(1-methylpyrazol-3-yl)-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: Cn1ccc(-c2cc(C(=O)NCCc3ccccn3)c3ccccn23)n1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C20H19N5O.C2HF3O2/c1-24-13-9-17(23-24)19-14-16(18-7-3-5-12-25(18)19)20(26)22-11-8-15-6-2-4-10-21-15;3-2(4,5)1(6)7/h2-7,9-10,12-14H,8,11H2,1H3,(H,22,26);(H,6,7)
• InChIKey: LLOXZYGRAYUGRT-UHFFFAOYSA-N
• XLogP: 3.34
• TPSA: 101.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.43
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-3-yl)-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid?

The IUPAC name of 3-(1-methylpyrazol-3-yl)-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid (CID 155869533) is 3-(1-methylpyrazol-3-yl)-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 3-(1-methylpyrazol-3-yl)-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for 3-(1-methylpyrazol-3-yl)-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid is Cn1ccc(-c2cc(C(=O)NCCc3ccccn3)c3ccccn23)n1.O=C(O)C(F)(F)F.

What is the InChIKey of 3-(1-methylpyrazol-3-yl)-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid?

The InChIKey is LLOXZYGRAYUGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O.C2HF3O2/c1-24-13-9-17(23-24)19-14-16(18-7-3-5-12-25(18)19)20(26)22-11-8-15-6-2-4-10-21-15;3-2(4,5)1(6)7/h2-7,9-10,12-14H,8,11H2,1H3,(H,22,26);(H,6,7).

What are the key properties of 3-(1-methylpyrazol-3-yl)-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid?

3-(1-methylpyrazol-3-yl)-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 459.43 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-methylpyrazol-3-yl)-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155869533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).