4-(7-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline

C20H13N5 — CID 53393073

IUPAC4-(7-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline
SMILESc1cncc(-c2ccn3c(-c4ccnc5ccccc45)nnc3c2)c1
InChIInChI=1S/C20H13N5/c1-2-6-18-16(5-1)17(7-10-22-18)20-24-23-19-12-14(8-11-25(19)20)15-4-3-9-21-13-15/h1-13H
InChIKeyKKKCCMAHDFYJBK-UHFFFAOYSA-N
MW323.36 g/mol
LogP4.01
Rot. Bonds2

About 4-(7-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline

4-(7-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline (PubChem CID 53393073) has the molecular formula C20H13N5 and a molecular weight of 323.36 g/mol. Its IUPAC name is 4-(7-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline.

Molecular Properties

Compound Name4-(7-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline
PubChem CID53393073
Molecular FormulaC20H13N5
Molecular Weight323.36 g/mol
Exact Mass323.12
IUPAC Name4-(7-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline
SMILESc1cncc(-c2ccn3c(-c4ccnc5ccccc45)nnc3c2)c1
InChIInChI=1S/C20H13N5/c1-2-6-18-16(5-1)17(7-10-22-18)20-24-23-19-12-14(8-11-25(19)20)15-4-3-9-21-13-15/h1-13H
InChIKeyKKKCCMAHDFYJBK-UHFFFAOYSA-N
XLogP4.01
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(7-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline?
The IUPAC name of 4-(7-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline (CID 53393073) is 4-(7-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline.
What is the SMILES notation for 4-(7-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline?
The canonical SMILES for 4-(7-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline is c1cncc(-c2ccn3c(-c4ccnc5ccccc45)nnc3c2)c1.
What is the InChIKey of 4-(7-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline?
The InChIKey is KKKCCMAHDFYJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N5/c1-2-6-18-16(5-1)17(7-10-22-18)20-24-23-19-12-14(8-11-25(19)20)15-4-3-9-21-13-15/h1-13H.
What are the key properties of 4-(7-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline?
4-(7-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline has a molecular weight of 323.36 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline is sourced from PubChem (CID 53393073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).