6-(1,3-benzothiazol-6-yl)-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine

C22H13FN6S — CID 137372656

IUPAC6-(1,3-benzothiazol-6-yl)-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESNc1nc(-c2ccc3ncsc3c2)c(-c2cc(F)c3ncccc3c2)n2ccnc12
InChIInChI=1S/C22H13FN6S/c23-15-9-14(8-12-2-1-5-25-18(12)15)20-19(28-21(24)22-26-6-7-29(20)22)13-3-4-16-17(10-13)30-11-27-16/h1-11H,(H2,24,28)
InChIKeyONBKUCBMEAFCNU-UHFFFAOYSA-N
MW412.45 g/mol
LogP4.94
Rot. Bonds2

About 6-(1,3-benzothiazol-6-yl)-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine

6-(1,3-benzothiazol-6-yl)-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 137372656) has the molecular formula C22H13FN6S and a molecular weight of 412.45 g/mol. Its IUPAC name is 6-(1,3-benzothiazol-6-yl)-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-(1,3-benzothiazol-6-yl)-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID137372656
Molecular FormulaC22H13FN6S
Molecular Weight412.45 g/mol
Exact Mass412.09
IUPAC Name6-(1,3-benzothiazol-6-yl)-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESNc1nc(-c2ccc3ncsc3c2)c(-c2cc(F)c3ncccc3c2)n2ccnc12
InChIInChI=1S/C22H13FN6S/c23-15-9-14(8-12-2-1-5-25-18(12)15)20-19(28-21(24)22-26-6-7-29(20)22)13-3-4-16-17(10-13)30-11-27-16/h1-11H,(H2,24,28)
InChIKeyONBKUCBMEAFCNU-UHFFFAOYSA-N
XLogP4.94
TPSA81.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzothiazol-6-yl)-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 6-(1,3-benzothiazol-6-yl)-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine (CID 137372656) is 6-(1,3-benzothiazol-6-yl)-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 6-(1,3-benzothiazol-6-yl)-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 6-(1,3-benzothiazol-6-yl)-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine is Nc1nc(-c2ccc3ncsc3c2)c(-c2cc(F)c3ncccc3c2)n2ccnc12.
What is the InChIKey of 6-(1,3-benzothiazol-6-yl)-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is ONBKUCBMEAFCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13FN6S/c23-15-9-14(8-12-2-1-5-25-18(12)15)20-19(28-21(24)22-26-6-7-29(20)22)13-3-4-16-17(10-13)30-11-27-16/h1-11H,(H2,24,28).
What are the key properties of 6-(1,3-benzothiazol-6-yl)-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine?
6-(1,3-benzothiazol-6-yl)-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 412.45 g/mol, XLogP of 4.94, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzothiazol-6-yl)-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 137372656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).