6-[1-(5-bromoimidazo[4,5-b]pyrazin-3-yl)ethyl]-5-methylquinoline

C17H14BrN5 — CID 141370285

IUPAC6-[1-(5-bromoimidazo[4,5-b]pyrazin-3-yl)ethyl]-5-methylquinoline
SMILESCc1c(C(C)n2cnc3ncc(Br)nc32)ccc2ncccc12
InChIInChI=1S/C17H14BrN5/c1-10-12(5-6-14-13(10)4-3-7-19-14)11(2)23-9-21-16-17(23)22-15(18)8-20-16/h3-9,11H,1-2H3
InChIKeyMERIIFHLQCSXDI-UHFFFAOYSA-N
MW368.24 g/mol
LogP4.05
Rot. Bonds2

About 6-[1-(5-bromoimidazo[4,5-b]pyrazin-3-yl)ethyl]-5-methylquinoline

6-[1-(5-bromoimidazo[4,5-b]pyrazin-3-yl)ethyl]-5-methylquinoline (PubChem CID 141370285) has the molecular formula C17H14BrN5 and a molecular weight of 368.24 g/mol. Its IUPAC name is 6-[1-(5-bromoimidazo[4,5-b]pyrazin-3-yl)ethyl]-5-methylquinoline.

Molecular Properties

Compound Name6-[1-(5-bromoimidazo[4,5-b]pyrazin-3-yl)ethyl]-5-methylquinoline
PubChem CID141370285
Molecular FormulaC17H14BrN5
Molecular Weight368.24 g/mol
Exact Mass367.04
IUPAC Name6-[1-(5-bromoimidazo[4,5-b]pyrazin-3-yl)ethyl]-5-methylquinoline
SMILESCc1c(C(C)n2cnc3ncc(Br)nc32)ccc2ncccc12
InChIInChI=1S/C17H14BrN5/c1-10-12(5-6-14-13(10)4-3-7-19-14)11(2)23-9-21-16-17(23)22-15(18)8-20-16/h3-9,11H,1-2H3
InChIKeyMERIIFHLQCSXDI-UHFFFAOYSA-N
XLogP4.05
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.24
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-3-methyl-2-(5-quinolin-5-ylimidazo[4,5-b]pyrazin-3-yl)butan-1-ol
CID 141358659
7-fluoro-6-[1-[5-(4-methylthiophen-2-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline
CID 175322316
4-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]aniline
CID 141370388
7-fluoro-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline
CID 141370339
5,7-difluoro-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline
CID 141370291
2-[4-[3-[1-(5-fluoroquinolin-6-yl)propyl]imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
CID 155557617
6-[1-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline
CID 86566369
7-bromo-5-methylquinolin-6-amine
CID 167472712
5-(1-iodoethyl)quinoline
CID 130224458
5-ethyl-6-propan-2-ylquinoline
CID 166938108
N,N-dimethyl-1-[3-[(1S)-1-phenylethyl]imidazo[4,5-b]pyrazin-5-yl]methanamine
CID 68819049
6-bromoquinoline-5-thiol
CID 136981755

Frequently Asked Questions

What is the IUPAC name of 6-[1-(5-bromoimidazo[4,5-b]pyrazin-3-yl)ethyl]-5-methylquinoline?
The IUPAC name of 6-[1-(5-bromoimidazo[4,5-b]pyrazin-3-yl)ethyl]-5-methylquinoline (CID 141370285) is 6-[1-(5-bromoimidazo[4,5-b]pyrazin-3-yl)ethyl]-5-methylquinoline.
What is the SMILES notation for 6-[1-(5-bromoimidazo[4,5-b]pyrazin-3-yl)ethyl]-5-methylquinoline?
The canonical SMILES for 6-[1-(5-bromoimidazo[4,5-b]pyrazin-3-yl)ethyl]-5-methylquinoline is Cc1c(C(C)n2cnc3ncc(Br)nc32)ccc2ncccc12.
What is the InChIKey of 6-[1-(5-bromoimidazo[4,5-b]pyrazin-3-yl)ethyl]-5-methylquinoline?
The InChIKey is MERIIFHLQCSXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN5/c1-10-12(5-6-14-13(10)4-3-7-19-14)11(2)23-9-21-16-17(23)22-15(18)8-20-16/h3-9,11H,1-2H3.
What are the key properties of 6-[1-(5-bromoimidazo[4,5-b]pyrazin-3-yl)ethyl]-5-methylquinoline?
6-[1-(5-bromoimidazo[4,5-b]pyrazin-3-yl)ethyl]-5-methylquinoline has a molecular weight of 368.24 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(5-bromoimidazo[4,5-b]pyrazin-3-yl)ethyl]-5-methylquinoline is sourced from PubChem (CID 141370285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).