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

C32H31FN4O5 — CID 58167785

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

5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1H-pyrrole-3-carboxamide (PubChem CID 58167785) has the molecular formula C32H31FN4O5 and a molecular weight of 570.62 g/mol. Its IUPAC name is 5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1H-pyrrole-3-carboxamide
• PubChem CID: 58167785
• Molecular Formula: C32H31FN4O5
• Molecular Weight: 570.62 g/mol
• Exact Mass: 570.23
• IUPAC Name: 5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1H-pyrrole-3-carboxamide
• SMILES: Cc1ccc(F)c(CC(=O)Cc2ccc(Oc3ccnc(-c4cc(C(=O)NCC(=O)N5CC[C@H](O)C5)c[nH]4)c3)cc2)c1
• InChI: InChI=1S/C32H31FN4O5/c1-20-2-7-28(33)22(12-20)14-25(39)13-21-3-5-26(6-4-21)42-27-8-10-34-30(16-27)29-15-23(17-35-29)32(41)36-18-31(40)37-11-9-24(38)19-37/h2-8,10,12,15-17,24,35,38H,9,11,13-14,18-19H2,1H3,(H,36,41)/t24-/m0/s1
• InChIKey: BMSKCCFGGCBSNQ-DEOSSOPVSA-N
• XLogP: 3.99
• TPSA: 124.62 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	570.62
LogP ≤ 5	3.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1H-pyrrole-3-carboxamide (CID 58167785) is 5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-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-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1H-pyrrole-3-carboxamide?

The canonical SMILES for 5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1H-pyrrole-3-carboxamide is Cc1ccc(F)c(CC(=O)Cc2ccc(Oc3ccnc(-c4cc(C(=O)NCC(=O)N5CC[C@H](O)C5)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-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1H-pyrrole-3-carboxamide?

The InChIKey is BMSKCCFGGCBSNQ-DEOSSOPVSA-N. The full InChI is InChI=1S/C32H31FN4O5/c1-20-2-7-28(33)22(12-20)14-25(39)13-21-3-5-26(6-4-21)42-27-8-10-34-30(16-27)29-15-23(17-35-29)32(41)36-18-31(40)37-11-9-24(38)19-37/h2-8,10,12,15-17,24,35,38H,9,11,13-14,18-19H2,1H3,(H,36,41)/t24-/m0/s1.

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

5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1H-pyrrole-3-carboxamide has a molecular weight of 570.62 g/mol, XLogP of 3.99, 10 rotatable bonds, 3 hydrogen bond donors, and 6 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-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 58167785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).