[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-piperazin-1-ylmethanone

C19H18N6O2 — CID 70798412

IUPAC[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-piperazin-1-ylmethanone
SMILESNc1nc2cc(-c3ccc4ncc(C(=O)N5CCNCC5)n4c3)ccc2o1
InChIInChI=1S/C19H18N6O2/c20-19-23-14-9-12(1-3-16(14)27-19)13-2-4-17-22-10-15(25(17)11-13)18(26)24-7-5-21-6-8-24/h1-4,9-11,21H,5-8H2,(H2,20,23)
InChIKeyJRCHUTVTNGXBPZ-UHFFFAOYSA-N
MW362.39 g/mol
LogP1.77
Rot. Bonds2

About [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-piperazin-1-ylmethanone

[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-piperazin-1-ylmethanone (PubChem CID 70798412) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-piperazin-1-ylmethanone
PubChem CID70798412
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC Name[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-piperazin-1-ylmethanone
SMILESNc1nc2cc(-c3ccc4ncc(C(=O)N5CCNCC5)n4c3)ccc2o1
InChIInChI=1S/C19H18N6O2/c20-19-23-14-9-12(1-3-16(14)27-19)13-2-4-17-22-10-15(25(17)11-13)18(26)24-7-5-21-6-8-24/h1-4,9-11,21H,5-8H2,(H2,20,23)
InChIKeyJRCHUTVTNGXBPZ-UHFFFAOYSA-N
XLogP1.77
TPSA101.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 51.77
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]-piperazin-1-ylmethanone?
The IUPAC name of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-piperazin-1-ylmethanone (CID 70798412) is [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-piperazin-1-ylmethanone is Nc1nc2cc(-c3ccc4ncc(C(=O)N5CCNCC5)n4c3)ccc2o1.
What is the InChIKey of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-piperazin-1-ylmethanone?
The InChIKey is JRCHUTVTNGXBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2/c20-19-23-14-9-12(1-3-16(14)27-19)13-2-4-17-22-10-15(25(17)11-13)18(26)24-7-5-21-6-8-24/h1-4,9-11,21H,5-8H2,(H2,20,23).
What are the key properties of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-piperazin-1-ylmethanone?
[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-piperazin-1-ylmethanone has a molecular weight of 362.39 g/mol, XLogP of 1.77, 2 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]-piperazin-1-ylmethanone is sourced from PubChem (CID 70798412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).