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

C26H26F3N5O3 — CID 155855355

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

3-(1-cyclopentylpyrazol-3-yl)-N-methyl-N-(pyridin-2-ylmethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155855355) has the molecular formula C26H26F3N5O3 and a molecular weight of 513.52 g/mol. Its IUPAC name is 3-(1-cyclopentylpyrazol-3-yl)-N-methyl-N-(pyridin-2-ylmethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 3-(1-cyclopentylpyrazol-3-yl)-N-methyl-N-(pyridin-2-ylmethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 155855355
• Molecular Formula: C26H26F3N5O3
• Molecular Weight: 513.52 g/mol
• Exact Mass: 513.20
• IUPAC Name: 3-(1-cyclopentylpyrazol-3-yl)-N-methyl-N-(pyridin-2-ylmethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: CN(Cc1ccccn1)C(=O)c1cc(-c2ccn(C3CCCC3)n2)n2ccccc12.O=C(O)C(F)(F)F
• InChI: InChI=1S/C24H25N5O.C2HF3O2/c1-27(17-18-8-4-6-13-25-18)24(30)20-16-23(28-14-7-5-11-22(20)28)21-12-15-29(26-21)19-9-2-3-10-19;3-2(4,5)1(6)7/h4-8,11-16,19H,2-3,9-10,17H2,1H3;(H,6,7)
• InChIKey: RSEDGSAVYMBFNQ-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 92.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	513.52
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-(1-cyclopentylpyrazol-3-yl)-N-methyl-N-(pyridin-2-ylmethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid (CID 155855355) is 3-(1-cyclopentylpyrazol-3-yl)-N-methyl-N-(pyridin-2-ylmethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid.

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

The canonical SMILES for 3-(1-cyclopentylpyrazol-3-yl)-N-methyl-N-(pyridin-2-ylmethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid is CN(Cc1ccccn1)C(=O)c1cc(-c2ccn(C3CCCC3)n2)n2ccccc12.O=C(O)C(F)(F)F.

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

The InChIKey is RSEDGSAVYMBFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O.C2HF3O2/c1-27(17-18-8-4-6-13-25-18)24(30)20-16-23(28-14-7-5-11-22(20)28)21-12-15-29(26-21)19-9-2-3-10-19;3-2(4,5)1(6)7/h4-8,11-16,19H,2-3,9-10,17H2,1H3;(H,6,7).

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

3-(1-cyclopentylpyrazol-3-yl)-N-methyl-N-(pyridin-2-ylmethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 513.52 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-cyclopentylpyrazol-3-yl)-N-methyl-N-(pyridin-2-ylmethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155855355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).