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

C35H37FN4O5 — CID 58167790

IUPAC5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-[4-(3-hydroxypiperidin-1-yl)-4-oxobutyl]-1H-pyrrole-3-carboxamide
SMILESCc1ccc(F)c(CC(=O)Cc2ccc(Oc3ccnc(-c4cc(C(=O)NCCCC(=O)N5CCCC(O)C5)c[nH]4)c3)cc2)c1
InChIInChI=1S/C35H37FN4O5/c1-23-6-11-31(36)25(16-23)18-28(42)17-24-7-9-29(10-8-24)45-30-12-14-37-33(20-30)32-19-26(21-39-32)35(44)38-13-2-5-34(43)40-15-3-4-27(41)22-40/h6-12,14,16,19-21,27,39,41H,2-5,13,15,17-18,22H2,1H3,(H,38,44)
InChIKeyGHOFYRGJMOHYCF-UHFFFAOYSA-N
MW612.70 g/mol
LogP5.16
Rot. Bonds12

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

5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-[4-(3-hydroxypiperidin-1-yl)-4-oxobutyl]-1H-pyrrole-3-carboxamide (PubChem CID 58167790) has the molecular formula C35H37FN4O5 and a molecular weight of 612.70 g/mol. Its IUPAC name is 5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-[4-(3-hydroxypiperidin-1-yl)-4-oxobutyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-[4-(3-hydroxypiperidin-1-yl)-4-oxobutyl]-1H-pyrrole-3-carboxamide
PubChem CID58167790
Molecular FormulaC35H37FN4O5
Molecular Weight612.70 g/mol
Exact Mass612.27
IUPAC Name5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-[4-(3-hydroxypiperidin-1-yl)-4-oxobutyl]-1H-pyrrole-3-carboxamide
SMILESCc1ccc(F)c(CC(=O)Cc2ccc(Oc3ccnc(-c4cc(C(=O)NCCCC(=O)N5CCCC(O)C5)c[nH]4)c3)cc2)c1
InChIInChI=1S/C35H37FN4O5/c1-23-6-11-31(36)25(16-23)18-28(42)17-24-7-9-29(10-8-24)45-30-12-14-37-33(20-30)32-19-26(21-39-32)35(44)38-13-2-5-34(43)40-15-3-4-27(41)22-40/h6-12,14,16,19-21,27,39,41H,2-5,13,15,17-18,22H2,1H3,(H,38,44)
InChIKeyGHOFYRGJMOHYCF-UHFFFAOYSA-N
XLogP5.16
TPSA124.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.70
LogP ≤ 55.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-[4-(3-hydroxypiperidin-1-yl)-4-oxobutyl]-1H-pyrrole-3-carboxamide with MolForge

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Related Compounds

6-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 10273574
N-(1-(4-fluorobenzyl)piperidin-4-yl)-6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)nicotinamide
CID 66710269
6-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 68443348
US11339157, Example 4
CID 142566481
US11339157, Example 7
CID 142566502
US11339157, Example 3
CID 142566514
WO2022101184, Example 6
CID 163298526
WO2022101184, Example 8
CID 163298530
WO2022101184, Example 2
CID 163298551
WO2022101184, Example 14
CID 163298577
2-[2-[2-(4-Fluorophenyl)ethyl]-5-methoxy-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 71450358
1-cyclopentyl-N-[(2S,3R)-4-[[(4S)-6-ethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]-6-oxo-5-pyridin-2-ylpyridine-3-carboxamide
CID 71454734

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-[4-(3-hydroxypiperidin-1-yl)-4-oxobutyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-[4-(3-hydroxypiperidin-1-yl)-4-oxobutyl]-1H-pyrrole-3-carboxamide (CID 58167790) is 5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-[4-(3-hydroxypiperidin-1-yl)-4-oxobutyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-[4-(3-hydroxypiperidin-1-yl)-4-oxobutyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-[4-(3-hydroxypiperidin-1-yl)-4-oxobutyl]-1H-pyrrole-3-carboxamide is Cc1ccc(F)c(CC(=O)Cc2ccc(Oc3ccnc(-c4cc(C(=O)NCCCC(=O)N5CCCC(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-[4-(3-hydroxypiperidin-1-yl)-4-oxobutyl]-1H-pyrrole-3-carboxamide?
The InChIKey is GHOFYRGJMOHYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37FN4O5/c1-23-6-11-31(36)25(16-23)18-28(42)17-24-7-9-29(10-8-24)45-30-12-14-37-33(20-30)32-19-26(21-39-32)35(44)38-13-2-5-34(43)40-15-3-4-27(41)22-40/h6-12,14,16,19-21,27,39,41H,2-5,13,15,17-18,22H2,1H3,(H,38,44).
What are the key properties of 5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-[4-(3-hydroxypiperidin-1-yl)-4-oxobutyl]-1H-pyrrole-3-carboxamide?
5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-[4-(3-hydroxypiperidin-1-yl)-4-oxobutyl]-1H-pyrrole-3-carboxamide has a molecular weight of 612.70 g/mol, XLogP of 5.16, 12 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-[4-(3-hydroxypiperidin-1-yl)-4-oxobutyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 58167790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).