3-(1-propan-2-ylimidazol-4-yl)-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid

C24H24F3N5O3 — CID 155857144

About 3-(1-propan-2-ylimidazol-4-yl)-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid

3-(1-propan-2-ylimidazol-4-yl)-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155857144) has the molecular formula C24H24F3N5O3 and a molecular weight of 487.48 g/mol. Its IUPAC name is 3-(1-propan-2-ylimidazol-4-yl)-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 3-(1-propan-2-ylimidazol-4-yl)-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 155857144
• Molecular Formula: C24H24F3N5O3
• Molecular Weight: 487.48 g/mol
• Exact Mass: 487.18
• IUPAC Name: 3-(1-propan-2-ylimidazol-4-yl)-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: CC(C)n1cnc(-c2cc(C(=O)NCCc3ccccn3)c3ccccn23)c1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C22H23N5O.C2HF3O2/c1-16(2)26-14-19(25-15-26)21-13-18(20-8-4-6-12-27(20)21)22(28)24-11-9-17-7-3-5-10-23-17;3-2(4,5)1(6)7/h3-8,10,12-16H,9,11H2,1-2H3,(H,24,28);(H,6,7)
• InChIKey: DTJINUKJEWPQSM-UHFFFAOYSA-N
• XLogP: 4.38
• TPSA: 101.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.48
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(1-propan-2-ylimidazol-4-yl)-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid?

The IUPAC name of 3-(1-propan-2-ylimidazol-4-yl)-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid (CID 155857144) is 3-(1-propan-2-ylimidazol-4-yl)-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 3-(1-propan-2-ylimidazol-4-yl)-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for 3-(1-propan-2-ylimidazol-4-yl)-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid is CC(C)n1cnc(-c2cc(C(=O)NCCc3ccccn3)c3ccccn23)c1.O=C(O)C(F)(F)F.

What is the InChIKey of 3-(1-propan-2-ylimidazol-4-yl)-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid?

The InChIKey is DTJINUKJEWPQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O.C2HF3O2/c1-16(2)26-14-19(25-15-26)21-13-18(20-8-4-6-12-27(20)21)22(28)24-11-9-17-7-3-5-10-23-17;3-2(4,5)1(6)7/h3-8,10,12-16H,9,11H2,1-2H3,(H,24,28);(H,6,7).

What are the key properties of 3-(1-propan-2-ylimidazol-4-yl)-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid?

3-(1-propan-2-ylimidazol-4-yl)-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 487.48 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-propan-2-ylimidazol-4-yl)-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155857144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).