7-methyl-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline

C21H19N7 — CID 141370282

IUPAC7-methyl-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline
SMILESCc1cc2ncccc2cc1C(C)n1cnc2ncc(-c3cnn(C)c3)nc21
InChIInChI=1S/C21H19N7/c1-13-7-18-15(5-4-6-22-18)8-17(13)14(2)28-12-24-20-21(28)26-19(10-23-20)16-9-25-27(3)11-16/h4-12,14H,1-3H3
InChIKeyVGDRGIXONWUMIL-UHFFFAOYSA-N
MW369.43 g/mol
LogP3.69
Rot. Bonds3

About 7-methyl-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline

7-methyl-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline (PubChem CID 141370282) has the molecular formula C21H19N7 and a molecular weight of 369.43 g/mol. Its IUPAC name is 7-methyl-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline.

Molecular Properties

Compound Name7-methyl-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline
PubChem CID141370282
Molecular FormulaC21H19N7
Molecular Weight369.43 g/mol
Exact Mass369.17
IUPAC Name7-methyl-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline
SMILESCc1cc2ncccc2cc1C(C)n1cnc2ncc(-c3cnn(C)c3)nc21
InChIInChI=1S/C21H19N7/c1-13-7-18-15(5-4-6-22-18)8-17(13)14(2)28-12-24-20-21(28)26-19(10-23-20)16-9-25-27(3)11-16/h4-12,14H,1-3H3
InChIKeyVGDRGIXONWUMIL-UHFFFAOYSA-N
XLogP3.69
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline?
The IUPAC name of 7-methyl-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline (CID 141370282) is 7-methyl-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline.
What is the SMILES notation for 7-methyl-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline?
The canonical SMILES for 7-methyl-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline is Cc1cc2ncccc2cc1C(C)n1cnc2ncc(-c3cnn(C)c3)nc21.
What is the InChIKey of 7-methyl-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline?
The InChIKey is VGDRGIXONWUMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7/c1-13-7-18-15(5-4-6-22-18)8-17(13)14(2)28-12-24-20-21(28)26-19(10-23-20)16-9-25-27(3)11-16/h4-12,14H,1-3H3.
What are the key properties of 7-methyl-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline?
7-methyl-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline has a molecular weight of 369.43 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline is sourced from PubChem (CID 141370282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).