(4,4-difluoropiperidin-1-yl)-[6-(2-methyl-1-benzofuran-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone

C22H19F2N3O2 — CID 118506084

IUPAC(4,4-difluoropiperidin-1-yl)-[6-(2-methyl-1-benzofuran-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone
SMILESCc1cc2cc(-c3ccc4ncc(C(=O)N5CCC(F)(F)CC5)n4c3)ccc2o1
InChIInChI=1S/C22H19F2N3O2/c1-14-10-17-11-15(2-4-19(17)29-14)16-3-5-20-25-12-18(27(20)13-16)21(28)26-8-6-22(23,24)7-9-26/h2-5,10-13H,6-9H2,1H3
InChIKeyIVCJFOAQWWCKDZ-UHFFFAOYSA-N
MW395.41 g/mol
LogP4.93
Rot. Bonds2

About (4,4-difluoropiperidin-1-yl)-[6-(2-methyl-1-benzofuran-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone

(4,4-difluoropiperidin-1-yl)-[6-(2-methyl-1-benzofuran-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone (PubChem CID 118506084) has the molecular formula C22H19F2N3O2 and a molecular weight of 395.41 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[6-(2-methyl-1-benzofuran-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[6-(2-methyl-1-benzofuran-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone
PubChem CID118506084
Molecular FormulaC22H19F2N3O2
Molecular Weight395.41 g/mol
Exact Mass395.14
IUPAC Name(4,4-difluoropiperidin-1-yl)-[6-(2-methyl-1-benzofuran-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone
SMILESCc1cc2cc(-c3ccc4ncc(C(=O)N5CCC(F)(F)CC5)n4c3)ccc2o1
InChIInChI=1S/C22H19F2N3O2/c1-14-10-17-11-15(2-4-19(17)29-14)16-3-5-20-25-12-18(27(20)13-16)21(28)26-8-6-22(23,24)7-9-26/h2-5,10-13H,6-9H2,1H3
InChIKeyIVCJFOAQWWCKDZ-UHFFFAOYSA-N
XLogP4.93
TPSA50.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-[6-(2-methyl-1-benzofuran-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[6-(2-methyl-1-benzofuran-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone (CID 118506084) is (4,4-difluoropiperidin-1-yl)-[6-(2-methyl-1-benzofuran-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[6-(2-methyl-1-benzofuran-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[6-(2-methyl-1-benzofuran-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone is Cc1cc2cc(-c3ccc4ncc(C(=O)N5CCC(F)(F)CC5)n4c3)ccc2o1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[6-(2-methyl-1-benzofuran-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone?
The InChIKey is IVCJFOAQWWCKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N3O2/c1-14-10-17-11-15(2-4-19(17)29-14)16-3-5-20-25-12-18(27(20)13-16)21(28)26-8-6-22(23,24)7-9-26/h2-5,10-13H,6-9H2,1H3.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[6-(2-methyl-1-benzofuran-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone?
(4,4-difluoropiperidin-1-yl)-[6-(2-methyl-1-benzofuran-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone has a molecular weight of 395.41 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-[6-(2-methyl-1-benzofuran-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone is sourced from PubChem (CID 118506084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).