2-[3-(4-fluorophenyl)-2H-pyrrol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]-5-methylbenzamide

C26H24FN3O2 — CID 147749738

IUPAC2-[3-(4-fluorophenyl)-2H-pyrrol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]-5-methylbenzamide
SMILESCc1ccc(C2=NCC(c3ccc(F)cc3)=C2)c(C(=O)N[C@@H](CO)Cc2ccccn2)c1
InChIInChI=1S/C26H24FN3O2/c1-17-5-10-23(25-13-19(15-29-25)18-6-8-20(27)9-7-18)24(12-17)26(32)30-22(16-31)14-21-4-2-3-11-28-21/h2-13,22,31H,14-16H2,1H3,(H,30,32)/t22-/m1/s1
InChIKeyHBYSOZAGSLQOPY-JOCHJYFZSA-N
MW429.50 g/mol
LogP3.75
Rot. Bonds7

About 2-[3-(4-fluorophenyl)-2H-pyrrol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]-5-methylbenzamide

2-[3-(4-fluorophenyl)-2H-pyrrol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]-5-methylbenzamide (PubChem CID 147749738) has the molecular formula C26H24FN3O2 and a molecular weight of 429.50 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-2H-pyrrol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]-5-methylbenzamide.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-2H-pyrrol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]-5-methylbenzamide
PubChem CID147749738
Molecular FormulaC26H24FN3O2
Molecular Weight429.50 g/mol
Exact Mass429.19
IUPAC Name2-[3-(4-fluorophenyl)-2H-pyrrol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]-5-methylbenzamide
SMILESCc1ccc(C2=NCC(c3ccc(F)cc3)=C2)c(C(=O)N[C@@H](CO)Cc2ccccn2)c1
InChIInChI=1S/C26H24FN3O2/c1-17-5-10-23(25-13-19(15-29-25)18-6-8-20(27)9-7-18)24(12-17)26(32)30-22(16-31)14-21-4-2-3-11-28-21/h2-13,22,31H,14-16H2,1H3,(H,30,32)/t22-/m1/s1
InChIKeyHBYSOZAGSLQOPY-JOCHJYFZSA-N
XLogP3.75
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 11552706
(S)-N-(1-(Pyridin-2-YL)ethyl)-5-(4-(trifluoromethyl)phenyl)-2-naphthamide
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Hydroxyethylamine-based inhibitor 16a
CID 6539267
Hydroxyethylamine-based inhibitor 16b
CID 6539268
Hydroxyethylamine-based inhibitor 16c
CID 6539269
Hydroxyethylamine-based inhibitor 17b
CID 6539273
Hydroxyethylamine-based inhibitor 17a
CID 6539274
Hydroxyethylamine-based inhibitor 17c
CID 6539275
N-[(1S)-1-benzyl-2-hydroxyethyl]-4-pyridin-4-ylbenzamide
CID 68513305
2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-[2-(hydroxymethyl)-5-oxopyrrolidin-3-yl]-3-pyridinyl]-N,2-dimethylpropanamide
CID 57398076
N-(4-hydroxycyclohexyl)quinoline-8-carboxamide
CID 9268568

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-2H-pyrrol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]-5-methylbenzamide?
The IUPAC name of 2-[3-(4-fluorophenyl)-2H-pyrrol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]-5-methylbenzamide (CID 147749738) is 2-[3-(4-fluorophenyl)-2H-pyrrol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]-5-methylbenzamide.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-2H-pyrrol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]-5-methylbenzamide?
The canonical SMILES for 2-[3-(4-fluorophenyl)-2H-pyrrol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]-5-methylbenzamide is Cc1ccc(C2=NCC(c3ccc(F)cc3)=C2)c(C(=O)N[C@@H](CO)Cc2ccccn2)c1.
What is the InChIKey of 2-[3-(4-fluorophenyl)-2H-pyrrol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]-5-methylbenzamide?
The InChIKey is HBYSOZAGSLQOPY-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H24FN3O2/c1-17-5-10-23(25-13-19(15-29-25)18-6-8-20(27)9-7-18)24(12-17)26(32)30-22(16-31)14-21-4-2-3-11-28-21/h2-13,22,31H,14-16H2,1H3,(H,30,32)/t22-/m1/s1.
What are the key properties of 2-[3-(4-fluorophenyl)-2H-pyrrol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]-5-methylbenzamide?
2-[3-(4-fluorophenyl)-2H-pyrrol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]-5-methylbenzamide has a molecular weight of 429.50 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-2H-pyrrol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]-5-methylbenzamide is sourced from PubChem (CID 147749738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).