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

C26H26F3N5O3 — CID 155851791

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

3-(2-cyclopentylpyrazol-3-yl)-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155851791) has the molecular formula C26H26F3N5O3 and a molecular weight of 513.52 g/mol. Its IUPAC name is 3-(2-cyclopentylpyrazol-3-yl)-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 3-(2-cyclopentylpyrazol-3-yl)-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 155851791
• Molecular Formula: C26H26F3N5O3
• Molecular Weight: 513.52 g/mol
• Exact Mass: 513.20
• IUPAC Name: 3-(2-cyclopentylpyrazol-3-yl)-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: O=C(NCCc1ccccn1)c1cc(-c2ccnn2C2CCCC2)n2ccccc12.O=C(O)C(F)(F)F
• InChI: InChI=1S/C24H25N5O.C2HF3O2/c30-24(26-14-11-18-7-3-5-13-25-18)20-17-23(28-16-6-4-10-21(20)28)22-12-15-27-29(22)19-8-1-2-9-19;3-2(4,5)1(6)7/h3-7,10,12-13,15-17,19H,1-2,8-9,11,14H2,(H,26,30);(H,6,7)
• InChIKey: OZOSCGNPITUARA-UHFFFAOYSA-N
• XLogP: 4.92
• TPSA: 101.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.52
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-(2-cyclopentylpyrazol-3-yl)-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid (CID 155851791) is 3-(2-cyclopentylpyrazol-3-yl)-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid.

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

The canonical SMILES for 3-(2-cyclopentylpyrazol-3-yl)-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid is O=C(NCCc1ccccn1)c1cc(-c2ccnn2C2CCCC2)n2ccccc12.O=C(O)C(F)(F)F.

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

The InChIKey is OZOSCGNPITUARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O.C2HF3O2/c30-24(26-14-11-18-7-3-5-13-25-18)20-17-23(28-16-6-4-10-21(20)28)22-12-15-27-29(22)19-8-1-2-9-19;3-2(4,5)1(6)7/h3-7,10,12-13,15-17,19H,1-2,8-9,11,14H2,(H,26,30);(H,6,7).

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

3-(2-cyclopentylpyrazol-3-yl)-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 513.52 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-cyclopentylpyrazol-3-yl)-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155851791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).