1-(4-bromothiophen-2-yl)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-methylmethanamine

C13H13BrN4S — CID 84593232

IUPAC1-(4-bromothiophen-2-yl)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-methylmethanamine
SMILESCN(Cc1cc(Br)cs1)Cc1cnc2cnccn12
InChIInChI=1S/C13H13BrN4S/c1-17(8-12-4-10(14)9-19-12)7-11-5-16-13-6-15-2-3-18(11)13/h2-6,9H,7-8H2,1H3
InChIKeyPOJGIYAQKKPOQF-UHFFFAOYSA-N
MW337.25 g/mol
LogP3.19
Rot. Bonds4

About 1-(4-bromothiophen-2-yl)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-methylmethanamine

1-(4-bromothiophen-2-yl)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-methylmethanamine (PubChem CID 84593232) has the molecular formula C13H13BrN4S and a molecular weight of 337.25 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-methylmethanamine
PubChem CID84593232
Molecular FormulaC13H13BrN4S
Molecular Weight337.25 g/mol
Exact Mass336.00
IUPAC Name1-(4-bromothiophen-2-yl)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-methylmethanamine
SMILESCN(Cc1cc(Br)cs1)Cc1cnc2cnccn12
InChIInChI=1S/C13H13BrN4S/c1-17(8-12-4-10(14)9-19-12)7-11-5-16-13-6-15-2-3-18(11)13/h2-6,9H,7-8H2,1H3
InChIKeyPOJGIYAQKKPOQF-UHFFFAOYSA-N
XLogP3.19
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-methylmethanamine (CID 84593232) is 1-(4-bromothiophen-2-yl)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-methylmethanamine is CN(Cc1cc(Br)cs1)Cc1cnc2cnccn12.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-methylmethanamine?
The InChIKey is POJGIYAQKKPOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4S/c1-17(8-12-4-10(14)9-19-12)7-11-5-16-13-6-15-2-3-18(11)13/h2-6,9H,7-8H2,1H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-methylmethanamine?
1-(4-bromothiophen-2-yl)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-methylmethanamine has a molecular weight of 337.25 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-methylmethanamine is sourced from PubChem (CID 84593232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).