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

C22H24N6O4S — CID 71037692

IUPAC[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
SMILESCS(=O)(=O)CCN1CCN(C(=O)c2cnc3ccc(-c4ccc5oc(N)nc5c4)cn23)CC1
InChIInChI=1S/C22H24N6O4S/c1-33(30,31)11-10-26-6-8-27(9-7-26)21(29)18-13-24-20-5-3-16(14-28(18)20)15-2-4-19-17(12-15)25-22(23)32-19/h2-5,12-14H,6-11H2,1H3,(H2,23,25)
InChIKeyANBOAUJZMPQUAD-UHFFFAOYSA-N
MW468.54 g/mol
LogP1.53
Rot. Bonds5

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

[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone (PubChem CID 71037692) has the molecular formula C22H24N6O4S and a molecular weight of 468.54 g/mol. Its IUPAC name is [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
PubChem CID71037692
Molecular FormulaC22H24N6O4S
Molecular Weight468.54 g/mol
Exact Mass468.16
IUPAC Name[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
SMILESCS(=O)(=O)CCN1CCN(C(=O)c2cnc3ccc(-c4ccc5oc(N)nc5c4)cn23)CC1
InChIInChI=1S/C22H24N6O4S/c1-33(30,31)11-10-26-6-8-27(9-7-26)21(29)18-13-24-20-5-3-16(14-28(18)20)15-2-4-19-17(12-15)25-22(23)32-19/h2-5,12-14H,6-11H2,1H3,(H2,23,25)
InChIKeyANBOAUJZMPQUAD-UHFFFAOYSA-N
XLogP1.53
TPSA127.04 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.54
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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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-(2-methylsulfonylethyl)piperazin-1-yl]methanone?
The IUPAC name of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone (CID 71037692) is [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[4-(2-methylsulfonylethyl)piperazin-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-(2-methylsulfonylethyl)piperazin-1-yl]methanone?
The canonical SMILES for [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone is CS(=O)(=O)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-(2-methylsulfonylethyl)piperazin-1-yl]methanone?
The InChIKey is ANBOAUJZMPQUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O4S/c1-33(30,31)11-10-26-6-8-27(9-7-26)21(29)18-13-24-20-5-3-16(14-28(18)20)15-2-4-19-17(12-15)25-22(23)32-19/h2-5,12-14H,6-11H2,1H3,(H2,23,25).
What are the key properties of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone?
[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone has a molecular weight of 468.54 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 9 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-(2-methylsulfonylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 71037692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).