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

C20H20FN5O2 — CID 146263443

IUPAC[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4-fluoropiperidin-1-yl)methanol
SMILESNc1nc2cc(-c3ccc4ncc(C(O)N5CCC(F)CC5)n4c3)ccc2o1
InChIInChI=1S/C20H20FN5O2/c21-14-5-7-25(8-6-14)19(27)16-10-23-18-4-2-13(11-26(16)18)12-1-3-17-15(9-12)24-20(22)28-17/h1-4,9-11,14,19,27H,5-8H2,(H2,22,24)
InChIKeyBUZDVUFLBDZKCF-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.15
Rot. Bonds3

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

[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4-fluoropiperidin-1-yl)methanol (PubChem CID 146263443) has the molecular formula C20H20FN5O2 and a molecular weight of 381.41 g/mol. Its IUPAC name is [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4-fluoropiperidin-1-yl)methanol.

Molecular Properties

Compound Name[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4-fluoropiperidin-1-yl)methanol
PubChem CID146263443
Molecular FormulaC20H20FN5O2
Molecular Weight381.41 g/mol
Exact Mass381.16
IUPAC Name[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4-fluoropiperidin-1-yl)methanol
SMILESNc1nc2cc(-c3ccc4ncc(C(O)N5CCC(F)CC5)n4c3)ccc2o1
InChIInChI=1S/C20H20FN5O2/c21-14-5-7-25(8-6-14)19(27)16-10-23-18-4-2-13(11-26(16)18)12-1-3-17-15(9-12)24-20(22)28-17/h1-4,9-11,14,19,27H,5-8H2,(H2,22,24)
InChIKeyBUZDVUFLBDZKCF-UHFFFAOYSA-N
XLogP3.15
TPSA92.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4-fluoropiperidin-1-yl)methanol?
The IUPAC name of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4-fluoropiperidin-1-yl)methanol (CID 146263443) is [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4-fluoropiperidin-1-yl)methanol.
What is the SMILES notation for [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4-fluoropiperidin-1-yl)methanol?
The canonical SMILES for [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4-fluoropiperidin-1-yl)methanol is Nc1nc2cc(-c3ccc4ncc(C(O)N5CCC(F)CC5)n4c3)ccc2o1.
What is the InChIKey of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4-fluoropiperidin-1-yl)methanol?
The InChIKey is BUZDVUFLBDZKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O2/c21-14-5-7-25(8-6-14)19(27)16-10-23-18-4-2-13(11-26(16)18)12-1-3-17-15(9-12)24-20(22)28-17/h1-4,9-11,14,19,27H,5-8H2,(H2,22,24).
What are the key properties of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4-fluoropiperidin-1-yl)methanol?
[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4-fluoropiperidin-1-yl)methanol has a molecular weight of 381.41 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4-fluoropiperidin-1-yl)methanol is sourced from PubChem (CID 146263443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).