4-(5-benzyl-2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)quinoline

C28H20N4 — CID 69224532

IUPAC4-(5-benzyl-2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)quinoline
SMILESc1ccc(Cc2ccn3nc(-c4ccccn4)c(-c4ccnc5ccccc45)c3c2)cc1
InChIInChI=1S/C28H20N4/c1-2-8-20(9-3-1)18-21-14-17-32-26(19-21)27(28(31-32)25-12-6-7-15-29-25)23-13-16-30-24-11-5-4-10-22(23)24/h1-17,19H,18H2
InChIKeyVJBFGVASNXJTPL-UHFFFAOYSA-N
MW412.50 g/mol
LogP6.20
Rot. Bonds4

About 4-(5-benzyl-2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)quinoline

4-(5-benzyl-2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)quinoline (PubChem CID 69224532) has the molecular formula C28H20N4 and a molecular weight of 412.50 g/mol. Its IUPAC name is 4-(5-benzyl-2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)quinoline.

Molecular Properties

Compound Name4-(5-benzyl-2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)quinoline
PubChem CID69224532
Molecular FormulaC28H20N4
Molecular Weight412.50 g/mol
Exact Mass412.17
IUPAC Name4-(5-benzyl-2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)quinoline
SMILESc1ccc(Cc2ccn3nc(-c4ccccn4)c(-c4ccnc5ccccc45)c3c2)cc1
InChIInChI=1S/C28H20N4/c1-2-8-20(9-3-1)18-21-14-17-32-26(19-21)27(28(31-32)25-12-6-7-15-29-25)23-13-16-30-24-11-5-4-10-22(23)24/h1-17,19H,18H2
InChIKeyVJBFGVASNXJTPL-UHFFFAOYSA-N
XLogP6.20
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.50
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(5-benzyl-2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(5-benzyl-2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)quinoline?
The IUPAC name of 4-(5-benzyl-2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)quinoline (CID 69224532) is 4-(5-benzyl-2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)quinoline.
What is the SMILES notation for 4-(5-benzyl-2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)quinoline?
The canonical SMILES for 4-(5-benzyl-2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)quinoline is c1ccc(Cc2ccn3nc(-c4ccccn4)c(-c4ccnc5ccccc45)c3c2)cc1.
What is the InChIKey of 4-(5-benzyl-2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)quinoline?
The InChIKey is VJBFGVASNXJTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N4/c1-2-8-20(9-3-1)18-21-14-17-32-26(19-21)27(28(31-32)25-12-6-7-15-29-25)23-13-16-30-24-11-5-4-10-22(23)24/h1-17,19H,18H2.
What are the key properties of 4-(5-benzyl-2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)quinoline?
4-(5-benzyl-2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)quinoline has a molecular weight of 412.50 g/mol, XLogP of 6.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-benzyl-2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)quinoline is sourced from PubChem (CID 69224532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).