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

C25H23FN4O2 — CID 90094185

IUPAC6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1cc(-c2ncccc2-c2ccc3ncc(C(=O)NC4CCOCC4)n3c2)ccc1F
InChIInChI=1S/C25H23FN4O2/c1-16-13-17(4-6-21(16)26)24-20(3-2-10-27-24)18-5-7-23-28-14-22(30(23)15-18)25(31)29-19-8-11-32-12-9-19/h2-7,10,13-15,19H,8-9,11-12H2,1H3,(H,29,31)
InChIKeyIAKBYHSAFVMXEM-UHFFFAOYSA-N
MW430.48 g/mol
LogP4.42
Rot. Bonds4

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

6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 90094185) has the molecular formula C25H23FN4O2 and a molecular weight of 430.48 g/mol. Its IUPAC name is 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID90094185
Molecular FormulaC25H23FN4O2
Molecular Weight430.48 g/mol
Exact Mass430.18
IUPAC Name6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1cc(-c2ncccc2-c2ccc3ncc(C(=O)NC4CCOCC4)n3c2)ccc1F
InChIInChI=1S/C25H23FN4O2/c1-16-13-17(4-6-21(16)26)24-20(3-2-10-27-24)18-5-7-23-28-14-22(30(23)15-18)25(31)29-19-8-11-32-12-9-19/h2-7,10,13-15,19H,8-9,11-12H2,1H3,(H,29,31)
InChIKeyIAKBYHSAFVMXEM-UHFFFAOYSA-N
XLogP4.42
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide (CID 90094185) is 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide is Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)NC4CCOCC4)n3c2)ccc1F.
What is the InChIKey of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is IAKBYHSAFVMXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O2/c1-16-13-17(4-6-21(16)26)24-20(3-2-10-27-24)18-5-7-23-28-14-22(30(23)15-18)25(31)29-19-8-11-32-12-9-19/h2-7,10,13-15,19H,8-9,11-12H2,1H3,(H,29,31).
What are the key properties of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide?
6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 430.48 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 90094185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).