6-[[5-(2-chloro-4-pyridinyl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline

C20H13ClN6 — CID 58514686

IUPAC6-[[5-(2-chloro-4-pyridinyl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
SMILESClc1cc(-c2ccc3nnn(Cc4ccc5ncccc5c4)c3n2)ccn1
InChIInChI=1S/C20H13ClN6/c21-19-11-15(7-9-23-19)17-5-6-18-20(24-17)27(26-25-18)12-13-3-4-16-14(10-13)2-1-8-22-16/h1-11H,12H2
InChIKeyQZKXDQKEKSAKKF-UHFFFAOYSA-N
MW372.82 g/mol
LogP4.14
Rot. Bonds3

About 6-[[5-(2-chloro-4-pyridinyl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline

6-[[5-(2-chloro-4-pyridinyl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline (PubChem CID 58514686) has the molecular formula C20H13ClN6 and a molecular weight of 372.82 g/mol. Its IUPAC name is 6-[[5-(2-chloro-4-pyridinyl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline.

Molecular Properties

Compound Name6-[[5-(2-chloro-4-pyridinyl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
PubChem CID58514686
Molecular FormulaC20H13ClN6
Molecular Weight372.82 g/mol
Exact Mass372.09
IUPAC Name6-[[5-(2-chloro-4-pyridinyl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
SMILESClc1cc(-c2ccc3nnn(Cc4ccc5ncccc5c4)c3n2)ccn1
InChIInChI=1S/C20H13ClN6/c21-19-11-15(7-9-23-19)17-5-6-18-20(24-17)27(26-25-18)12-13-3-4-16-14(10-13)2-1-8-22-16/h1-11H,12H2
InChIKeyQZKXDQKEKSAKKF-UHFFFAOYSA-N
XLogP4.14
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.82
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-(2-chloro-4-pyridinyl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline?
The IUPAC name of 6-[[5-(2-chloro-4-pyridinyl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline (CID 58514686) is 6-[[5-(2-chloro-4-pyridinyl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline.
What is the SMILES notation for 6-[[5-(2-chloro-4-pyridinyl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline?
The canonical SMILES for 6-[[5-(2-chloro-4-pyridinyl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline is Clc1cc(-c2ccc3nnn(Cc4ccc5ncccc5c4)c3n2)ccn1.
What is the InChIKey of 6-[[5-(2-chloro-4-pyridinyl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline?
The InChIKey is QZKXDQKEKSAKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN6/c21-19-11-15(7-9-23-19)17-5-6-18-20(24-17)27(26-25-18)12-13-3-4-16-14(10-13)2-1-8-22-16/h1-11H,12H2.
What are the key properties of 6-[[5-(2-chloro-4-pyridinyl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline?
6-[[5-(2-chloro-4-pyridinyl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline has a molecular weight of 372.82 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(2-chloro-4-pyridinyl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline is sourced from PubChem (CID 58514686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).