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

C21H22N6O2 — CID 70798820

IUPAC[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3,5-dimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2cnc3ccc(-c4ccc5oc(N)nc5c4)cn23)CC(C)N1
InChIInChI=1S/C21H22N6O2/c1-12-9-26(10-13(2)24-12)20(28)17-8-23-19-6-4-15(11-27(17)19)14-3-5-18-16(7-14)25-21(22)29-18/h3-8,11-13,24H,9-10H2,1-2H3,(H2,22,25)
InChIKeyLJKVGELAIAZPGS-UHFFFAOYSA-N
MW390.45 g/mol
LogP2.55
Rot. Bonds2

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

[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3,5-dimethylpiperazin-1-yl)methanone (PubChem CID 70798820) 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]-(3,5-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3,5-dimethylpiperazin-1-yl)methanone
PubChem CID70798820
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]-(3,5-dimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2cnc3ccc(-c4ccc5oc(N)nc5c4)cn23)CC(C)N1
InChIInChI=1S/C21H22N6O2/c1-12-9-26(10-13(2)24-12)20(28)17-8-23-19-6-4-15(11-27(17)19)14-3-5-18-16(7-14)25-21(22)29-18/h3-8,11-13,24H,9-10H2,1-2H3,(H2,22,25)
InChIKeyLJKVGELAIAZPGS-UHFFFAOYSA-N
XLogP2.55
TPSA101.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.55
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]-(3,5-dimethylpiperazin-1-yl)methanone?
The IUPAC name of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3,5-dimethylpiperazin-1-yl)methanone (CID 70798820) is [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3,5-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3,5-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3,5-dimethylpiperazin-1-yl)methanone is CC1CN(C(=O)c2cnc3ccc(-c4ccc5oc(N)nc5c4)cn23)CC(C)N1.
What is the InChIKey of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3,5-dimethylpiperazin-1-yl)methanone?
The InChIKey is LJKVGELAIAZPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-12-9-26(10-13(2)24-12)20(28)17-8-23-19-6-4-15(11-27(17)19)14-3-5-18-16(7-14)25-21(22)29-18/h3-8,11-13,24H,9-10H2,1-2H3,(H2,22,25).
What are the key properties of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3,5-dimethylpiperazin-1-yl)methanone?
[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3,5-dimethylpiperazin-1-yl)methanone has a molecular weight of 390.45 g/mol, XLogP of 2.55, 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]-(3,5-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 70798820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).