4-[(E)-2-(5-fluoro-2-pyridinyl)ethenyl]-N-[2-(2-hydroxypropan-2-yl)-3-methylimidazo[1,2-a]pyridin-6-yl]benzamide

C25H23FN4O2 — CID 11539231

IUPAC4-[(E)-2-(5-fluoro-2-pyridinyl)ethenyl]-N-[2-(2-hydroxypropan-2-yl)-3-methylimidazo[1,2-a]pyridin-6-yl]benzamide
SMILESCc1c(C(C)(C)O)nc2ccc(NC(=O)c3ccc(/C=C/c4ccc(F)cn4)cc3)cn12
InChIInChI=1S/C25H23FN4O2/c1-16-23(25(2,3)32)29-22-13-12-21(15-30(16)22)28-24(31)18-7-4-17(5-8-18)6-10-20-11-9-19(26)14-27-20/h4-15,32H,1-3H3,(H,28,31)/b10-6+
InChIKeyAARDBRQGFWVZAY-UXBLZVDNSA-N
MW430.48 g/mol
LogP4.83
Rot. Bonds5

About 4-[(E)-2-(5-fluoro-2-pyridinyl)ethenyl]-N-[2-(2-hydroxypropan-2-yl)-3-methylimidazo[1,2-a]pyridin-6-yl]benzamide

4-[(E)-2-(5-fluoro-2-pyridinyl)ethenyl]-N-[2-(2-hydroxypropan-2-yl)-3-methylimidazo[1,2-a]pyridin-6-yl]benzamide (PubChem CID 11539231) has the molecular formula C25H23FN4O2 and a molecular weight of 430.48 g/mol. Its IUPAC name is 4-[(E)-2-(5-fluoro-2-pyridinyl)ethenyl]-N-[2-(2-hydroxypropan-2-yl)-3-methylimidazo[1,2-a]pyridin-6-yl]benzamide.

Molecular Properties

Compound Name4-[(E)-2-(5-fluoro-2-pyridinyl)ethenyl]-N-[2-(2-hydroxypropan-2-yl)-3-methylimidazo[1,2-a]pyridin-6-yl]benzamide
PubChem CID11539231
Molecular FormulaC25H23FN4O2
Molecular Weight430.48 g/mol
Exact Mass430.18
IUPAC Name4-[(E)-2-(5-fluoro-2-pyridinyl)ethenyl]-N-[2-(2-hydroxypropan-2-yl)-3-methylimidazo[1,2-a]pyridin-6-yl]benzamide
SMILESCc1c(C(C)(C)O)nc2ccc(NC(=O)c3ccc(/C=C/c4ccc(F)cn4)cc3)cn12
InChIInChI=1S/C25H23FN4O2/c1-16-23(25(2,3)32)29-22-13-12-21(15-30(16)22)28-24(31)18-7-4-17(5-8-18)6-10-20-11-9-19(26)14-27-20/h4-15,32H,1-3H3,(H,28,31)/b10-6+
InChIKeyAARDBRQGFWVZAY-UXBLZVDNSA-N
XLogP4.83
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(5-fluoro-2-pyridinyl)ethenyl]-N-[2-(2-hydroxypropan-2-yl)-3-methylimidazo[1,2-a]pyridin-6-yl]benzamide?
The IUPAC name of 4-[(E)-2-(5-fluoro-2-pyridinyl)ethenyl]-N-[2-(2-hydroxypropan-2-yl)-3-methylimidazo[1,2-a]pyridin-6-yl]benzamide (CID 11539231) is 4-[(E)-2-(5-fluoro-2-pyridinyl)ethenyl]-N-[2-(2-hydroxypropan-2-yl)-3-methylimidazo[1,2-a]pyridin-6-yl]benzamide.
What is the SMILES notation for 4-[(E)-2-(5-fluoro-2-pyridinyl)ethenyl]-N-[2-(2-hydroxypropan-2-yl)-3-methylimidazo[1,2-a]pyridin-6-yl]benzamide?
The canonical SMILES for 4-[(E)-2-(5-fluoro-2-pyridinyl)ethenyl]-N-[2-(2-hydroxypropan-2-yl)-3-methylimidazo[1,2-a]pyridin-6-yl]benzamide is Cc1c(C(C)(C)O)nc2ccc(NC(=O)c3ccc(/C=C/c4ccc(F)cn4)cc3)cn12.
What is the InChIKey of 4-[(E)-2-(5-fluoro-2-pyridinyl)ethenyl]-N-[2-(2-hydroxypropan-2-yl)-3-methylimidazo[1,2-a]pyridin-6-yl]benzamide?
The InChIKey is AARDBRQGFWVZAY-UXBLZVDNSA-N. The full InChI is InChI=1S/C25H23FN4O2/c1-16-23(25(2,3)32)29-22-13-12-21(15-30(16)22)28-24(31)18-7-4-17(5-8-18)6-10-20-11-9-19(26)14-27-20/h4-15,32H,1-3H3,(H,28,31)/b10-6+.
What are the key properties of 4-[(E)-2-(5-fluoro-2-pyridinyl)ethenyl]-N-[2-(2-hydroxypropan-2-yl)-3-methylimidazo[1,2-a]pyridin-6-yl]benzamide?
4-[(E)-2-(5-fluoro-2-pyridinyl)ethenyl]-N-[2-(2-hydroxypropan-2-yl)-3-methylimidazo[1,2-a]pyridin-6-yl]benzamide has a molecular weight of 430.48 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(5-fluoro-2-pyridinyl)ethenyl]-N-[2-(2-hydroxypropan-2-yl)-3-methylimidazo[1,2-a]pyridin-6-yl]benzamide is sourced from PubChem (CID 11539231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).