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

C19H15N7 — CID 86566650

IUPAC6-[[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline
SMILESCn1cc(-c2cnc3ncn(Cc4ccc5ncccc5c4)c3n2)cn1
InChIInChI=1S/C19H15N7/c1-25-11-15(8-23-25)17-9-21-18-19(24-17)26(12-22-18)10-13-4-5-16-14(7-13)3-2-6-20-16/h2-9,11-12H,10H2,1H3
InChIKeyIUWFAMFUGQUBJD-UHFFFAOYSA-N
MW341.38 g/mol
LogP2.82
Rot. Bonds3

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

6-[[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline (PubChem CID 86566650) has the molecular formula C19H15N7 and a molecular weight of 341.38 g/mol. Its IUPAC name is 6-[[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline.

Molecular Properties

Compound Name6-[[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline
PubChem CID86566650
Molecular FormulaC19H15N7
Molecular Weight341.38 g/mol
Exact Mass341.14
IUPAC Name6-[[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline
SMILESCn1cc(-c2cnc3ncn(Cc4ccc5ncccc5c4)c3n2)cn1
InChIInChI=1S/C19H15N7/c1-25-11-15(8-23-25)17-9-21-18-19(24-17)26(12-22-18)10-13-4-5-16-14(7-13)3-2-6-20-16/h2-9,11-12H,10H2,1H3
InChIKeyIUWFAMFUGQUBJD-UHFFFAOYSA-N
XLogP2.82
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline?
The IUPAC name of 6-[[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline (CID 86566650) is 6-[[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline.
What is the SMILES notation for 6-[[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline?
The canonical SMILES for 6-[[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline is Cn1cc(-c2cnc3ncn(Cc4ccc5ncccc5c4)c3n2)cn1.
What is the InChIKey of 6-[[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline?
The InChIKey is IUWFAMFUGQUBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N7/c1-25-11-15(8-23-25)17-9-21-18-19(24-17)26(12-22-18)10-13-4-5-16-14(7-13)3-2-6-20-16/h2-9,11-12H,10H2,1H3.
What are the key properties of 6-[[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline?
6-[[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline has a molecular weight of 341.38 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline is sourced from PubChem (CID 86566650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).