6-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)pyridine-2-carboxamide

C26H22F2N4O — CID 154685953

IUPAC6-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccccc1F)c1cccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)n1
InChIInChI=1S/C26H22F2N4O/c27-18-14-12-17(13-15-18)24-25(32(16-29-24)19-6-1-2-7-19)22-10-5-11-23(30-22)26(33)31-21-9-4-3-8-20(21)28/h3-5,8-16,19H,1-2,6-7H2,(H,31,33)
InChIKeyBUDQUXXWLLTCNK-UHFFFAOYSA-N
MW444.49 g/mol
LogP6.26
Rot. Bonds5

About 6-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)pyridine-2-carboxamide

6-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)pyridine-2-carboxamide (PubChem CID 154685953) has the molecular formula C26H22F2N4O and a molecular weight of 444.49 g/mol. Its IUPAC name is 6-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)pyridine-2-carboxamide
PubChem CID154685953
Molecular FormulaC26H22F2N4O
Molecular Weight444.49 g/mol
Exact Mass444.18
IUPAC Name6-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccccc1F)c1cccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)n1
InChIInChI=1S/C26H22F2N4O/c27-18-14-12-17(13-15-18)24-25(32(16-29-24)19-6-1-2-7-19)22-10-5-11-23(30-22)26(33)31-21-9-4-3-8-20(21)28/h3-5,8-16,19H,1-2,6-7H2,(H,31,33)
InChIKeyBUDQUXXWLLTCNK-UHFFFAOYSA-N
XLogP6.26
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.49
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)pyridine-2-carboxamide?
The IUPAC name of 6-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)pyridine-2-carboxamide (CID 154685953) is 6-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 6-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)pyridine-2-carboxamide is O=C(Nc1ccccc1F)c1cccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)n1.
What is the InChIKey of 6-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)pyridine-2-carboxamide?
The InChIKey is BUDQUXXWLLTCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F2N4O/c27-18-14-12-17(13-15-18)24-25(32(16-29-24)19-6-1-2-7-19)22-10-5-11-23(30-22)26(33)31-21-9-4-3-8-20(21)28/h3-5,8-16,19H,1-2,6-7H2,(H,31,33).
What are the key properties of 6-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)pyridine-2-carboxamide?
6-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)pyridine-2-carboxamide has a molecular weight of 444.49 g/mol, XLogP of 6.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 154685953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).