6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]pyridine-2-carboxamide

C26H25FN4O2 — CID 164938208

IUPAC6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]pyridine-2-carboxamide
SMILESCC(C)n1cnc(-c2ccc(F)cc2)c1-c1cccc(C(=O)Nc2ccc(CCO)cc2)n1
InChIInChI=1S/C26H25FN4O2/c1-17(2)31-16-28-24(19-8-10-20(27)11-9-19)25(31)22-4-3-5-23(30-22)26(33)29-21-12-6-18(7-13-21)14-15-32/h3-13,16-17,32H,14-15H2,1-2H3,(H,29,33)
InChIKeyQJWIVNXPZLGILT-UHFFFAOYSA-N
MW444.51 g/mol
LogP5.12
Rot. Bonds7

About 6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]pyridine-2-carboxamide

6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]pyridine-2-carboxamide (PubChem CID 164938208) has the molecular formula C26H25FN4O2 and a molecular weight of 444.51 g/mol. Its IUPAC name is 6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]pyridine-2-carboxamide
PubChem CID164938208
Molecular FormulaC26H25FN4O2
Molecular Weight444.51 g/mol
Exact Mass444.20
IUPAC Name6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]pyridine-2-carboxamide
SMILESCC(C)n1cnc(-c2ccc(F)cc2)c1-c1cccc(C(=O)Nc2ccc(CCO)cc2)n1
InChIInChI=1S/C26H25FN4O2/c1-17(2)31-16-28-24(19-8-10-20(27)11-9-19)25(31)22-4-3-5-23(30-22)26(33)29-21-12-6-18(7-13-21)14-15-32/h3-13,16-17,32H,14-15H2,1-2H3,(H,29,33)
InChIKeyQJWIVNXPZLGILT-UHFFFAOYSA-N
XLogP5.12
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.51
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Pyrimidylpyrrole, 10b
CID 44481493
N-[(1s)-2-Hydroxy-1-Phenylethyl]-4-[5-Methyl-2-(Phenylamino)pyrimidin-4-Yl]-1h-Pyrrole-2-Carboxamide
CID 44480711
Pyrimidylpyrrole, 9c
CID 44481491
Pyrimidylpyrrole, 9e
CID 44481492
Pyrimidylpyrrole, 10d
CID 44481494
Pyrimidylpyrrole, 9b
CID 44481768
Pyrimidylpyrrole, 9d
CID 44481769
Pyrimidylpyrrole, 10a
CID 44482037
2-fluoro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide
CID 7080296
N-[1-[4-(2-hydroxyethyl)phenyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 21899142
6-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 154685953
General Procedure for Preparation of 3-(4-(5'-(4-fluorophenyl)-3'-isopropyl-1H,3'H-[2,4'-biimidazole]-4-carboxamido)phenyl)propanoic acid
CID 164938172

Frequently Asked Questions

What is the IUPAC name of 6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]pyridine-2-carboxamide (CID 164938208) is 6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]pyridine-2-carboxamide is CC(C)n1cnc(-c2ccc(F)cc2)c1-c1cccc(C(=O)Nc2ccc(CCO)cc2)n1.
What is the InChIKey of 6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is QJWIVNXPZLGILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O2/c1-17(2)31-16-28-24(19-8-10-20(27)11-9-19)25(31)22-4-3-5-23(30-22)26(33)29-21-12-6-18(7-13-21)14-15-32/h3-13,16-17,32H,14-15H2,1-2H3,(H,29,33).
What are the key properties of 6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]pyridine-2-carboxamide?
6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 444.51 g/mol, XLogP of 5.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 164938208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).