5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-[2-(2H-tetrazol-5-yl)ethyl]-1H-pyrrole-3-carboxamide

C29H26FN7O3 — CID 149182544

About 5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-[2-(2H-tetrazol-5-yl)ethyl]-1H-pyrrole-3-carboxamide

5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-[2-(2H-tetrazol-5-yl)ethyl]-1H-pyrrole-3-carboxamide (PubChem CID 149182544) has the molecular formula C29H26FN7O3 and a molecular weight of 539.57 g/mol. Its IUPAC name is 5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-[2-(2H-tetrazol-5-yl)ethyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-[2-(2H-tetrazol-5-yl)ethyl]-1H-pyrrole-3-carboxamide
• PubChem CID: 149182544
• Molecular Formula: C29H26FN7O3
• Molecular Weight: 539.57 g/mol
• Exact Mass: 539.21
• IUPAC Name: 5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-[2-(2H-tetrazol-5-yl)ethyl]-1H-pyrrole-3-carboxamide
• SMILES: Cc1ccc(F)c(CC(=O)Cc2ccc(Oc3ccnc(-c4cc(C(=O)NCCc5nn[nH]n5)c[nH]4)c3)cc2)c1
• InChI: InChI=1S/C29H26FN7O3/c1-18-2-7-25(30)20(12-18)14-22(38)13-19-3-5-23(6-4-19)40-24-8-10-31-27(16-24)26-15-21(17-33-26)29(39)32-11-9-28-34-36-37-35-28/h2-8,10,12,15-17,33H,9,11,13-14H2,1H3,(H,32,39)(H,34,35,36,37)
• InChIKey: XBFZQDFXXPMFLM-UHFFFAOYSA-N
• XLogP: 4.16
• TPSA: 138.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	539.57
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-[2-(2H-tetrazol-5-yl)ethyl]-1H-pyrrole-3-carboxamide?

The IUPAC name of 5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-[2-(2H-tetrazol-5-yl)ethyl]-1H-pyrrole-3-carboxamide (CID 149182544) is 5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-[2-(2H-tetrazol-5-yl)ethyl]-1H-pyrrole-3-carboxamide.

What is the SMILES notation for 5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-[2-(2H-tetrazol-5-yl)ethyl]-1H-pyrrole-3-carboxamide?

The canonical SMILES for 5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-[2-(2H-tetrazol-5-yl)ethyl]-1H-pyrrole-3-carboxamide is Cc1ccc(F)c(CC(=O)Cc2ccc(Oc3ccnc(-c4cc(C(=O)NCCc5nn[nH]n5)c[nH]4)c3)cc2)c1.

What is the InChIKey of 5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-[2-(2H-tetrazol-5-yl)ethyl]-1H-pyrrole-3-carboxamide?

The InChIKey is XBFZQDFXXPMFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26FN7O3/c1-18-2-7-25(30)20(12-18)14-22(38)13-19-3-5-23(6-4-19)40-24-8-10-31-27(16-24)26-15-21(17-33-26)29(39)32-11-9-28-34-36-37-35-28/h2-8,10,12,15-17,33H,9,11,13-14H2,1H3,(H,32,39)(H,34,35,36,37).

What are the key properties of 5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-[2-(2H-tetrazol-5-yl)ethyl]-1H-pyrrole-3-carboxamide?

5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-[2-(2H-tetrazol-5-yl)ethyl]-1H-pyrrole-3-carboxamide has a molecular weight of 539.57 g/mol, XLogP of 4.16, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-[2-(2H-tetrazol-5-yl)ethyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 149182544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).