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

C20H20N6O4S — CID 70798410

IUPAC[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCS(=O)(=O)N1CCN(C(=O)c2cnc3ccc(-c4ccc5oc(N)nc5c4)cn23)CC1
InChIInChI=1S/C20H20N6O4S/c1-31(28,29)25-8-6-24(7-9-25)19(27)16-11-22-18-5-3-14(12-26(16)18)13-2-4-17-15(10-13)23-20(21)30-17/h2-5,10-12H,6-9H2,1H3,(H2,21,23)
InChIKeyRXTYIWILKWPUOU-UHFFFAOYSA-N
MW440.49 g/mol
LogP1.44
Rot. Bonds3

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

[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone (PubChem CID 70798410) has the molecular formula C20H20N6O4S and a molecular weight of 440.49 g/mol. Its IUPAC name is [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
PubChem CID70798410
Molecular FormulaC20H20N6O4S
Molecular Weight440.49 g/mol
Exact Mass440.13
IUPAC Name[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCS(=O)(=O)N1CCN(C(=O)c2cnc3ccc(-c4ccc5oc(N)nc5c4)cn23)CC1
InChIInChI=1S/C20H20N6O4S/c1-31(28,29)25-8-6-24(7-9-25)19(27)16-11-22-18-5-3-14(12-26(16)18)13-2-4-17-15(10-13)23-20(21)30-17/h2-5,10-12H,6-9H2,1H3,(H2,21,23)
InChIKeyRXTYIWILKWPUOU-UHFFFAOYSA-N
XLogP1.44
TPSA127.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.49
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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-methylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone (CID 70798410) is [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4-methylsulfonylpiperazin-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-methylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone is CS(=O)(=O)N1CCN(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-methylsulfonylpiperazin-1-yl)methanone?
The InChIKey is RXTYIWILKWPUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O4S/c1-31(28,29)25-8-6-24(7-9-25)19(27)16-11-22-18-5-3-14(12-26(16)18)13-2-4-17-15(10-13)23-20(21)30-17/h2-5,10-12H,6-9H2,1H3,(H2,21,23).
What are the key properties of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone?
[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone has a molecular weight of 440.49 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 8 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-methylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 70798410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).