2-[(1-fluorocyclopentyl)methyl]-5-[2-(2-methylimidazo[1,2-a]pyridin-7-yl)-3-pyridinyl]-1,3-oxazole

C22H21FN4O — CID 137371472

IUPAC2-[(1-fluorocyclopentyl)methyl]-5-[2-(2-methylimidazo[1,2-a]pyridin-7-yl)-3-pyridinyl]-1,3-oxazole
SMILESCc1cn2ccc(-c3ncccc3-c3cnc(CC4(F)CCCC4)o3)cc2n1
InChIInChI=1S/C22H21FN4O/c1-15-14-27-10-6-16(11-19(27)26-15)21-17(5-4-9-24-21)18-13-25-20(28-18)12-22(23)7-2-3-8-22/h4-6,9-11,13-14H,2-3,7-8,12H2,1H3
InChIKeyIOBBCFNFAWECAD-UHFFFAOYSA-N
MW376.44 g/mol
LogP5.18
Rot. Bonds4

About 2-[(1-fluorocyclopentyl)methyl]-5-[2-(2-methylimidazo[1,2-a]pyridin-7-yl)-3-pyridinyl]-1,3-oxazole

2-[(1-fluorocyclopentyl)methyl]-5-[2-(2-methylimidazo[1,2-a]pyridin-7-yl)-3-pyridinyl]-1,3-oxazole (PubChem CID 137371472) has the molecular formula C22H21FN4O and a molecular weight of 376.44 g/mol. Its IUPAC name is 2-[(1-fluorocyclopentyl)methyl]-5-[2-(2-methylimidazo[1,2-a]pyridin-7-yl)-3-pyridinyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[(1-fluorocyclopentyl)methyl]-5-[2-(2-methylimidazo[1,2-a]pyridin-7-yl)-3-pyridinyl]-1,3-oxazole
PubChem CID137371472
Molecular FormulaC22H21FN4O
Molecular Weight376.44 g/mol
Exact Mass376.17
IUPAC Name2-[(1-fluorocyclopentyl)methyl]-5-[2-(2-methylimidazo[1,2-a]pyridin-7-yl)-3-pyridinyl]-1,3-oxazole
SMILESCc1cn2ccc(-c3ncccc3-c3cnc(CC4(F)CCCC4)o3)cc2n1
InChIInChI=1S/C22H21FN4O/c1-15-14-27-10-6-16(11-19(27)26-15)21-17(5-4-9-24-21)18-13-25-20(28-18)12-22(23)7-2-3-8-22/h4-6,9-11,13-14H,2-3,7-8,12H2,1H3
InChIKeyIOBBCFNFAWECAD-UHFFFAOYSA-N
XLogP5.18
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.44
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-fluorocyclopentyl)methyl]-5-[2-(2-methylimidazo[1,2-a]pyridin-7-yl)-3-pyridinyl]-1,3-oxazole?
The IUPAC name of 2-[(1-fluorocyclopentyl)methyl]-5-[2-(2-methylimidazo[1,2-a]pyridin-7-yl)-3-pyridinyl]-1,3-oxazole (CID 137371472) is 2-[(1-fluorocyclopentyl)methyl]-5-[2-(2-methylimidazo[1,2-a]pyridin-7-yl)-3-pyridinyl]-1,3-oxazole.
What is the SMILES notation for 2-[(1-fluorocyclopentyl)methyl]-5-[2-(2-methylimidazo[1,2-a]pyridin-7-yl)-3-pyridinyl]-1,3-oxazole?
The canonical SMILES for 2-[(1-fluorocyclopentyl)methyl]-5-[2-(2-methylimidazo[1,2-a]pyridin-7-yl)-3-pyridinyl]-1,3-oxazole is Cc1cn2ccc(-c3ncccc3-c3cnc(CC4(F)CCCC4)o3)cc2n1.
What is the InChIKey of 2-[(1-fluorocyclopentyl)methyl]-5-[2-(2-methylimidazo[1,2-a]pyridin-7-yl)-3-pyridinyl]-1,3-oxazole?
The InChIKey is IOBBCFNFAWECAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O/c1-15-14-27-10-6-16(11-19(27)26-15)21-17(5-4-9-24-21)18-13-25-20(28-18)12-22(23)7-2-3-8-22/h4-6,9-11,13-14H,2-3,7-8,12H2,1H3.
What are the key properties of 2-[(1-fluorocyclopentyl)methyl]-5-[2-(2-methylimidazo[1,2-a]pyridin-7-yl)-3-pyridinyl]-1,3-oxazole?
2-[(1-fluorocyclopentyl)methyl]-5-[2-(2-methylimidazo[1,2-a]pyridin-7-yl)-3-pyridinyl]-1,3-oxazole has a molecular weight of 376.44 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-fluorocyclopentyl)methyl]-5-[2-(2-methylimidazo[1,2-a]pyridin-7-yl)-3-pyridinyl]-1,3-oxazole is sourced from PubChem (CID 137371472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).