5-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine

C14H13BrN4S — CID 79954007

IUPAC5-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCC1c2ccsc2CCN1c1nc(Br)cn2ccnc12
InChIInChI=1S/C14H13BrN4S/c1-9-10-3-7-20-11(10)2-5-19(9)14-13-16-4-6-18(13)8-12(15)17-14/h3-4,6-9H,2,5H2,1H3
InChIKeyNIFKKHOEYLBCDO-UHFFFAOYSA-N
MW349.26 g/mol
LogP3.68
Rot. Bonds1

About 5-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine

5-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 79954007) has the molecular formula C14H13BrN4S and a molecular weight of 349.26 g/mol. Its IUPAC name is 5-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID79954007
Molecular FormulaC14H13BrN4S
Molecular Weight349.26 g/mol
Exact Mass348.00
IUPAC Name5-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCC1c2ccsc2CCN1c1nc(Br)cn2ccnc12
InChIInChI=1S/C14H13BrN4S/c1-9-10-3-7-20-11(10)2-5-19(9)14-13-16-4-6-18(13)8-12(15)17-14/h3-4,6-9H,2,5H2,1H3
InChIKeyNIFKKHOEYLBCDO-UHFFFAOYSA-N
XLogP3.68
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.26
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 79954007) is 5-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine is CC1c2ccsc2CCN1c1nc(Br)cn2ccnc12.
What is the InChIKey of 5-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is NIFKKHOEYLBCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4S/c1-9-10-3-7-20-11(10)2-5-19(9)14-13-16-4-6-18(13)8-12(15)17-14/h3-4,6-9H,2,5H2,1H3.
What are the key properties of 5-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 349.26 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 79954007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).