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

C21H19FN4O2 — CID 118241129

IUPAC(4-fluoropiperidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone
SMILESCc1nc2cc(-c3ccc4ncc(C(=O)N5CCC(F)CC5)n4c3)ccc2o1
InChIInChI=1S/C21H19FN4O2/c1-13-24-17-10-14(2-4-19(17)28-13)15-3-5-20-23-11-18(26(20)12-15)21(27)25-8-6-16(22)7-9-25/h2-5,10-12,16H,6-9H2,1H3
InChIKeyUEHJCFLQVOAUTQ-UHFFFAOYSA-N
MW378.41 g/mol
LogP4.03
Rot. Bonds2

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

(4-fluoropiperidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone (PubChem CID 118241129) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is (4-fluoropiperidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone.

Molecular Properties

Compound Name(4-fluoropiperidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone
PubChem CID118241129
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC Name(4-fluoropiperidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone
SMILESCc1nc2cc(-c3ccc4ncc(C(=O)N5CCC(F)CC5)n4c3)ccc2o1
InChIInChI=1S/C21H19FN4O2/c1-13-24-17-10-14(2-4-19(17)28-13)15-3-5-20-23-11-18(26(20)12-15)21(27)25-8-6-16(22)7-9-25/h2-5,10-12,16H,6-9H2,1H3
InChIKeyUEHJCFLQVOAUTQ-UHFFFAOYSA-N
XLogP4.03
TPSA63.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-fluoropiperidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone?
The IUPAC name of (4-fluoropiperidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone (CID 118241129) is (4-fluoropiperidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone.
What is the SMILES notation for (4-fluoropiperidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone?
The canonical SMILES for (4-fluoropiperidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone is Cc1nc2cc(-c3ccc4ncc(C(=O)N5CCC(F)CC5)n4c3)ccc2o1.
What is the InChIKey of (4-fluoropiperidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone?
The InChIKey is UEHJCFLQVOAUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c1-13-24-17-10-14(2-4-19(17)28-13)15-3-5-20-23-11-18(26(20)12-15)21(27)25-8-6-16(22)7-9-25/h2-5,10-12,16H,6-9H2,1H3.
What are the key properties of (4-fluoropiperidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone?
(4-fluoropiperidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone has a molecular weight of 378.41 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoropiperidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone is sourced from PubChem (CID 118241129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).