6-bromo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazo[1,2-a]pyrazin-8-amine

C14H13BrN4S — CID 79954320

IUPAC6-bromo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESBrc1cn2ccnc2c(NC2CCCc3sccc32)n1
InChIInChI=1S/C14H13BrN4S/c15-12-8-19-6-5-16-14(19)13(18-12)17-10-2-1-3-11-9(10)4-7-20-11/h4-8,10H,1-3H2,(H,17,18)
InChIKeyPYOMPKNPHZGYEK-UHFFFAOYSA-N
MW349.26 g/mol
LogP4.04
Rot. Bonds2

About 6-bromo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazo[1,2-a]pyrazin-8-amine

6-bromo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 79954320) has the molecular formula C14H13BrN4S and a molecular weight of 349.26 g/mol. Its IUPAC name is 6-bromo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-bromo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID79954320
Molecular FormulaC14H13BrN4S
Molecular Weight349.26 g/mol
Exact Mass348.00
IUPAC Name6-bromo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESBrc1cn2ccnc2c(NC2CCCc3sccc32)n1
InChIInChI=1S/C14H13BrN4S/c15-12-8-19-6-5-16-14(19)13(18-12)17-10-2-1-3-11-9(10)4-7-20-11/h4-8,10H,1-3H2,(H,17,18)
InChIKeyPYOMPKNPHZGYEK-UHFFFAOYSA-N
XLogP4.04
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.26
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 79954007
5-bromo-4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidine-2,4-diamine
CID 80824799
6-bromo-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyrazin-8-amine
CID 79955167
1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazo[4,5-c]pyridin-4-amine
CID 103385590
4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidine-2,4-diamine
CID 80825322
5-methyl-4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidine-2,4-diamine
CID 80824547
6-bromo-N-(3-methylsulfanylcyclopentyl)imidazo[1,2-a]pyrazin-8-amine
CID 114123820
6-bromo-N-(1-cyclopropylpyrrolidin-3-yl)imidazo[1,2-a]pyrazin-8-amine
CID 79947242
6-N,5-dimethyl-4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidine-4,6-diamine
CID 80824800
3,5-dichloro-6-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridin-2-amine
CID 102761994
1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazol-3-amine
CID 62841267
2-N,2-N-dimethyl-4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidine-2,4-diamine
CID 64830473

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 6-bromo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazo[1,2-a]pyrazin-8-amine (CID 79954320) is 6-bromo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 6-bromo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 6-bromo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazo[1,2-a]pyrazin-8-amine is Brc1cn2ccnc2c(NC2CCCc3sccc32)n1.
What is the InChIKey of 6-bromo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is PYOMPKNPHZGYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4S/c15-12-8-19-6-5-16-14(19)13(18-12)17-10-2-1-3-11-9(10)4-7-20-11/h4-8,10H,1-3H2,(H,17,18).
What are the key properties of 6-bromo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazo[1,2-a]pyrazin-8-amine?
6-bromo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 349.26 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 79954320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).