6-[[2-methyl-5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline

C20H17N7 — CID 155563249

IUPAC6-[[2-methyl-5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline
SMILESCc1nc2ncc(-c3cnn(C)c3)nc2n1Cc1ccc2ncccc2c1
InChIInChI=1S/C20H17N7/c1-13-24-19-20(25-18(10-22-19)16-9-23-26(2)12-16)27(13)11-14-5-6-17-15(8-14)4-3-7-21-17/h3-10,12H,11H2,1-2H3
InChIKeyCQJFVZQSLLEOKY-UHFFFAOYSA-N
MW355.41 g/mol
LogP3.13
Rot. Bonds3

About 6-[[2-methyl-5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline

6-[[2-methyl-5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline (PubChem CID 155563249) has the molecular formula C20H17N7 and a molecular weight of 355.41 g/mol. Its IUPAC name is 6-[[2-methyl-5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline.

Molecular Properties

Compound Name6-[[2-methyl-5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline
PubChem CID155563249
Molecular FormulaC20H17N7
Molecular Weight355.41 g/mol
Exact Mass355.15
IUPAC Name6-[[2-methyl-5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline
SMILESCc1nc2ncc(-c3cnn(C)c3)nc2n1Cc1ccc2ncccc2c1
InChIInChI=1S/C20H17N7/c1-13-24-19-20(25-18(10-22-19)16-9-23-26(2)12-16)27(13)11-14-5-6-17-15(8-14)4-3-7-21-17/h3-10,12H,11H2,1-2H3
InChIKeyCQJFVZQSLLEOKY-UHFFFAOYSA-N
XLogP3.13
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-methyl-5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline?
The IUPAC name of 6-[[2-methyl-5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline (CID 155563249) is 6-[[2-methyl-5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline.
What is the SMILES notation for 6-[[2-methyl-5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline?
The canonical SMILES for 6-[[2-methyl-5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline is Cc1nc2ncc(-c3cnn(C)c3)nc2n1Cc1ccc2ncccc2c1.
What is the InChIKey of 6-[[2-methyl-5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline?
The InChIKey is CQJFVZQSLLEOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7/c1-13-24-19-20(25-18(10-22-19)16-9-23-26(2)12-16)27(13)11-14-5-6-17-15(8-14)4-3-7-21-17/h3-10,12H,11H2,1-2H3.
What are the key properties of 6-[[2-methyl-5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline?
6-[[2-methyl-5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline has a molecular weight of 355.41 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-methyl-5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline is sourced from PubChem (CID 155563249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).