(6-fluoro-1H-indol-2-yl)-[3-[5-[2-(4-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone

C25H25FN4O3 — CID 110261484

About (6-fluoro-1H-indol-2-yl)-[3-[5-[2-(4-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone

(6-fluoro-1H-indol-2-yl)-[3-[5-[2-(4-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone (PubChem CID 110261484) has the molecular formula C25H25FN4O3 and a molecular weight of 448.50 g/mol. Its IUPAC name is (6-fluoro-1H-indol-2-yl)-[3-[5-[2-(4-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: (6-fluoro-1H-indol-2-yl)-[3-[5-[2-(4-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone
• PubChem CID: 110261484
• Molecular Formula: C25H25FN4O3
• Molecular Weight: 448.50 g/mol
• Exact Mass: 448.19
• IUPAC Name: (6-fluoro-1H-indol-2-yl)-[3-[5-[2-(4-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone
• SMILES: COc1ccc(OCCc2cc(C3CCN(C(=O)c4cc5ccc(F)cc5[nH]4)C3)n[nH]2)cc1
• InChI: InChI=1S/C25H25FN4O3/c1-32-20-4-6-21(7-5-20)33-11-9-19-14-23(29-28-19)17-8-10-30(15-17)25(31)24-12-16-2-3-18(26)13-22(16)27-24/h2-7,12-14,17,27H,8-11,15H2,1H3,(H,28,29)
• InChIKey: FGJYTOATWIVULY-UHFFFAOYSA-N
• XLogP: 4.29
• TPSA: 83.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.50
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-1H-indol-2-yl)-[3-[5-[2-(4-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone?

The IUPAC name of (6-fluoro-1H-indol-2-yl)-[3-[5-[2-(4-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone (CID 110261484) is (6-fluoro-1H-indol-2-yl)-[3-[5-[2-(4-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone.

What is the SMILES notation for (6-fluoro-1H-indol-2-yl)-[3-[5-[2-(4-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone?

The canonical SMILES for (6-fluoro-1H-indol-2-yl)-[3-[5-[2-(4-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone is COc1ccc(OCCc2cc(C3CCN(C(=O)c4cc5ccc(F)cc5[nH]4)C3)n[nH]2)cc1.

What is the InChIKey of (6-fluoro-1H-indol-2-yl)-[3-[5-[2-(4-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone?

The InChIKey is FGJYTOATWIVULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O3/c1-32-20-4-6-21(7-5-20)33-11-9-19-14-23(29-28-19)17-8-10-30(15-17)25(31)24-12-16-2-3-18(26)13-22(16)27-24/h2-7,12-14,17,27H,8-11,15H2,1H3,(H,28,29).

What are the key properties of (6-fluoro-1H-indol-2-yl)-[3-[5-[2-(4-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone?

(6-fluoro-1H-indol-2-yl)-[3-[5-[2-(4-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone has a molecular weight of 448.50 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (6-fluoro-1H-indol-2-yl)-[3-[5-[2-(4-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 110261484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).