5-methyl-6-[1-(5-pyridin-4-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline

C22H18N6 — CID 141370343

IUPAC5-methyl-6-[1-(5-pyridin-4-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
SMILESCc1c(C(C)n2cnc3ncc(-c4ccncc4)nc32)ccc2ncccc12
InChIInChI=1S/C22H18N6/c1-14-17(5-6-19-18(14)4-3-9-24-19)15(2)28-13-26-21-22(28)27-20(12-25-21)16-7-10-23-11-8-16/h3-13,15H,1-2H3
InChIKeyJVGKUMHPYPYEAK-UHFFFAOYSA-N
MW366.43 g/mol
LogP4.35
Rot. Bonds3

About 5-methyl-6-[1-(5-pyridin-4-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline

5-methyl-6-[1-(5-pyridin-4-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline (PubChem CID 141370343) has the molecular formula C22H18N6 and a molecular weight of 366.43 g/mol. Its IUPAC name is 5-methyl-6-[1-(5-pyridin-4-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline.

Molecular Properties

Compound Name5-methyl-6-[1-(5-pyridin-4-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
PubChem CID141370343
Molecular FormulaC22H18N6
Molecular Weight366.43 g/mol
Exact Mass366.16
IUPAC Name5-methyl-6-[1-(5-pyridin-4-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
SMILESCc1c(C(C)n2cnc3ncc(-c4ccncc4)nc32)ccc2ncccc12
InChIInChI=1S/C22H18N6/c1-14-17(5-6-19-18(14)4-3-9-24-19)15(2)28-13-26-21-22(28)27-20(12-25-21)16-7-10-23-11-8-16/h3-13,15H,1-2H3
InChIKeyJVGKUMHPYPYEAK-UHFFFAOYSA-N
XLogP4.35
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-[1-(5-pyridin-4-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline?
The IUPAC name of 5-methyl-6-[1-(5-pyridin-4-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline (CID 141370343) is 5-methyl-6-[1-(5-pyridin-4-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline.
What is the SMILES notation for 5-methyl-6-[1-(5-pyridin-4-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline?
The canonical SMILES for 5-methyl-6-[1-(5-pyridin-4-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline is Cc1c(C(C)n2cnc3ncc(-c4ccncc4)nc32)ccc2ncccc12.
What is the InChIKey of 5-methyl-6-[1-(5-pyridin-4-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline?
The InChIKey is JVGKUMHPYPYEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6/c1-14-17(5-6-19-18(14)4-3-9-24-19)15(2)28-13-26-21-22(28)27-20(12-25-21)16-7-10-23-11-8-16/h3-13,15H,1-2H3.
What are the key properties of 5-methyl-6-[1-(5-pyridin-4-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline?
5-methyl-6-[1-(5-pyridin-4-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline has a molecular weight of 366.43 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-[1-(5-pyridin-4-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline is sourced from PubChem (CID 141370343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).