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

C21H22N6O2 — CID 70798817

IUPAC[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cnc3ccc(-c4ccc5oc(N)nc5c4)cn23)CC1
InChIInChI=1S/C21H22N6O2/c1-2-25-7-9-26(10-8-25)20(28)17-12-23-19-6-4-15(13-27(17)19)14-3-5-18-16(11-14)24-21(22)29-18/h3-6,11-13H,2,7-10H2,1H3,(H2,22,24)
InChIKeyRWGQGCVPCKUEEM-UHFFFAOYSA-N
MW390.45 g/mol
LogP2.50
Rot. Bonds3

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

[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4-ethylpiperazin-1-yl)methanone (PubChem CID 70798817) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4-ethylpiperazin-1-yl)methanone
PubChem CID70798817
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cnc3ccc(-c4ccc5oc(N)nc5c4)cn23)CC1
InChIInChI=1S/C21H22N6O2/c1-2-25-7-9-26(10-8-25)20(28)17-12-23-19-6-4-15(13-27(17)19)14-3-5-18-16(11-14)24-21(22)29-18/h3-6,11-13H,2,7-10H2,1H3,(H2,22,24)
InChIKeyRWGQGCVPCKUEEM-UHFFFAOYSA-N
XLogP2.50
TPSA92.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.50
H-Bond Donors ≤ 51
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-ethylpiperazin-1-yl)methanone?
The IUPAC name of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4-ethylpiperazin-1-yl)methanone (CID 70798817) is [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4-ethylpiperazin-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-ethylpiperazin-1-yl)methanone?
The canonical SMILES for [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2cnc3ccc(-c4ccc5oc(N)nc5c4)cn23)CC1.
What is the InChIKey of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is RWGQGCVPCKUEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-2-25-7-9-26(10-8-25)20(28)17-12-23-19-6-4-15(13-27(17)19)14-3-5-18-16(11-14)24-21(22)29-18/h3-6,11-13H,2,7-10H2,1H3,(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-ethylpiperazin-1-yl)methanone?
[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 390.45 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 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-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 70798817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).