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

C20H16N6 — CID 58514895

IUPAC6-[[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]methyl]quinoline
SMILESCn1cc(-c2ccc3ncn(Cc4ccc5ncccc5c4)c3n2)cn1
InChIInChI=1S/C20H16N6/c1-25-12-16(10-23-25)18-6-7-19-20(24-18)26(13-22-19)11-14-4-5-17-15(9-14)3-2-8-21-17/h2-10,12-13H,11H2,1H3
InChIKeyPSMOHVUORLZFNF-UHFFFAOYSA-N
MW340.39 g/mol
LogP3.43
Rot. Bonds3

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

6-[[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]methyl]quinoline (PubChem CID 58514895) has the molecular formula C20H16N6 and a molecular weight of 340.39 g/mol. Its IUPAC name is 6-[[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]methyl]quinoline.

Molecular Properties

Compound Name6-[[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]methyl]quinoline
PubChem CID58514895
Molecular FormulaC20H16N6
Molecular Weight340.39 g/mol
Exact Mass340.14
IUPAC Name6-[[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]methyl]quinoline
SMILESCn1cc(-c2ccc3ncn(Cc4ccc5ncccc5c4)c3n2)cn1
InChIInChI=1S/C20H16N6/c1-25-12-16(10-23-25)18-6-7-19-20(24-18)26(13-22-19)11-14-4-5-17-15(9-14)3-2-8-21-17/h2-10,12-13H,11H2,1H3
InChIKeyPSMOHVUORLZFNF-UHFFFAOYSA-N
XLogP3.43
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]methyl]quinoline?
The IUPAC name of 6-[[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]methyl]quinoline (CID 58514895) is 6-[[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]methyl]quinoline.
What is the SMILES notation for 6-[[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]methyl]quinoline?
The canonical SMILES for 6-[[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]methyl]quinoline is Cn1cc(-c2ccc3ncn(Cc4ccc5ncccc5c4)c3n2)cn1.
What is the InChIKey of 6-[[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]methyl]quinoline?
The InChIKey is PSMOHVUORLZFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6/c1-25-12-16(10-23-25)18-6-7-19-20(24-18)26(13-22-19)11-14-4-5-17-15(9-14)3-2-8-21-17/h2-10,12-13H,11H2,1H3.
What are the key properties of 6-[[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]methyl]quinoline?
6-[[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]methyl]quinoline has a molecular weight of 340.39 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]methyl]quinoline is sourced from PubChem (CID 58514895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).