6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-imidazol-1-ylpropyl)imidazo[1,2-a]pyridine-3-carboxamide

C26H23FN6O — CID 90095228

IUPAC6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-imidazol-1-ylpropyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1cc(-c2ncccc2-c2ccc3ncc(C(=O)NCCCn4ccnc4)n3c2)ccc1F
InChIInChI=1S/C26H23FN6O/c1-18-14-19(5-7-22(18)27)25-21(4-2-9-29-25)20-6-8-24-31-15-23(33(24)16-20)26(34)30-10-3-12-32-13-11-28-17-32/h2,4-9,11,13-17H,3,10,12H2,1H3,(H,30,34)
InChIKeyQJQXBMJSRRUQOX-UHFFFAOYSA-N
MW454.51 g/mol
LogP4.53
Rot. Bonds7

About 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-imidazol-1-ylpropyl)imidazo[1,2-a]pyridine-3-carboxamide

6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-imidazol-1-ylpropyl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 90095228) has the molecular formula C26H23FN6O and a molecular weight of 454.51 g/mol. Its IUPAC name is 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-imidazol-1-ylpropyl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-imidazol-1-ylpropyl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID90095228
Molecular FormulaC26H23FN6O
Molecular Weight454.51 g/mol
Exact Mass454.19
IUPAC Name6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-imidazol-1-ylpropyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1cc(-c2ncccc2-c2ccc3ncc(C(=O)NCCCn4ccnc4)n3c2)ccc1F
InChIInChI=1S/C26H23FN6O/c1-18-14-19(5-7-22(18)27)25-21(4-2-9-29-25)20-6-8-24-31-15-23(33(24)16-20)26(34)30-10-3-12-32-13-11-28-17-32/h2,4-9,11,13-17H,3,10,12H2,1H3,(H,30,34)
InChIKeyQJQXBMJSRRUQOX-UHFFFAOYSA-N
XLogP4.53
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.51
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-imidazol-1-ylpropyl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-imidazol-1-ylpropyl)imidazo[1,2-a]pyridine-3-carboxamide (CID 90095228) is 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-imidazol-1-ylpropyl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-imidazol-1-ylpropyl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-imidazol-1-ylpropyl)imidazo[1,2-a]pyridine-3-carboxamide is Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)NCCCn4ccnc4)n3c2)ccc1F.
What is the InChIKey of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-imidazol-1-ylpropyl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is QJQXBMJSRRUQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN6O/c1-18-14-19(5-7-22(18)27)25-21(4-2-9-29-25)20-6-8-24-31-15-23(33(24)16-20)26(34)30-10-3-12-32-13-11-28-17-32/h2,4-9,11,13-17H,3,10,12H2,1H3,(H,30,34).
What are the key properties of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-imidazol-1-ylpropyl)imidazo[1,2-a]pyridine-3-carboxamide?
6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-imidazol-1-ylpropyl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 454.51 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-imidazol-1-ylpropyl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 90095228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).