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

C20H18FN5O2 — CID 70798436

IUPAC[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4-fluoropiperidin-1-yl)methanone
SMILESNc1nc2cc(-c3ccc4ncc(C(=O)N5CCC(F)CC5)n4c3)ccc2o1
InChIInChI=1S/C20H18FN5O2/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/h1-4,9-11,14H,5-8H2,(H2,22,24)
InChIKeyIQUNCSDYYJGEQG-UHFFFAOYSA-N
MW379.40 g/mol
LogP3.30
Rot. Bonds2

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

[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4-fluoropiperidin-1-yl)methanone (PubChem CID 70798436) has the molecular formula C20H18FN5O2 and a molecular weight of 379.40 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)methanone.

Molecular Properties

Compound Name[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4-fluoropiperidin-1-yl)methanone
PubChem CID70798436
Molecular FormulaC20H18FN5O2
Molecular Weight379.40 g/mol
Exact Mass379.14
IUPAC Name[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4-fluoropiperidin-1-yl)methanone
SMILESNc1nc2cc(-c3ccc4ncc(C(=O)N5CCC(F)CC5)n4c3)ccc2o1
InChIInChI=1S/C20H18FN5O2/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/h1-4,9-11,14H,5-8H2,(H2,22,24)
InChIKeyIQUNCSDYYJGEQG-UHFFFAOYSA-N
XLogP3.30
TPSA89.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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)methanone?
The IUPAC name of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4-fluoropiperidin-1-yl)methanone (CID 70798436) is [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4-fluoropiperidin-1-yl)methanone.
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)methanone?
The canonical SMILES for [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4-fluoropiperidin-1-yl)methanone 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)methanone?
The InChIKey is IQUNCSDYYJGEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O2/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/h1-4,9-11,14H,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)methanone?
[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4-fluoropiperidin-1-yl)methanone has a molecular weight of 379.40 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 6 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)methanone is sourced from PubChem (CID 70798436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).