6-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-d]pyrimidin-3-yl]methyl]quinoline

C24H24N8O2 — CID 59627818

IUPAC6-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-d]pyrimidin-3-yl]methyl]quinoline
SMILESc1cnc2ccc(Cn3nnc4cnc(-c5cnn(CCOC6CCCCO6)c5)nc43)cc2c1
InChIInChI=1S/C24H24N8O2/c1-2-10-33-22(5-1)34-11-9-31-16-19(13-27-31)23-26-14-21-24(28-23)32(30-29-21)15-17-6-7-20-18(12-17)4-3-8-25-20/h3-4,6-8,12-14,16,22H,1-2,5,9-11,15H2
InChIKeyYLATXGFGGZLZEA-UHFFFAOYSA-N
MW456.51 g/mol
LogP3.22
Rot. Bonds7

About 6-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-d]pyrimidin-3-yl]methyl]quinoline

6-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-d]pyrimidin-3-yl]methyl]quinoline (PubChem CID 59627818) has the molecular formula C24H24N8O2 and a molecular weight of 456.51 g/mol. Its IUPAC name is 6-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-d]pyrimidin-3-yl]methyl]quinoline.

Molecular Properties

Compound Name6-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-d]pyrimidin-3-yl]methyl]quinoline
PubChem CID59627818
Molecular FormulaC24H24N8O2
Molecular Weight456.51 g/mol
Exact Mass456.20
IUPAC Name6-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-d]pyrimidin-3-yl]methyl]quinoline
SMILESc1cnc2ccc(Cn3nnc4cnc(-c5cnn(CCOC6CCCCO6)c5)nc43)cc2c1
InChIInChI=1S/C24H24N8O2/c1-2-10-33-22(5-1)34-11-9-31-16-19(13-27-31)23-26-14-21-24(28-23)32(30-29-21)15-17-6-7-20-18(12-17)4-3-8-25-20/h3-4,6-8,12-14,16,22H,1-2,5,9-11,15H2
InChIKeyYLATXGFGGZLZEA-UHFFFAOYSA-N
XLogP3.22
TPSA105.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 6-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-d]pyrimidin-3-yl]methyl]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 6-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-d]pyrimidin-3-yl]methyl]quinoline?
The IUPAC name of 6-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-d]pyrimidin-3-yl]methyl]quinoline (CID 59627818) is 6-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-d]pyrimidin-3-yl]methyl]quinoline.
What is the SMILES notation for 6-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-d]pyrimidin-3-yl]methyl]quinoline?
The canonical SMILES for 6-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-d]pyrimidin-3-yl]methyl]quinoline is c1cnc2ccc(Cn3nnc4cnc(-c5cnn(CCOC6CCCCO6)c5)nc43)cc2c1.
What is the InChIKey of 6-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-d]pyrimidin-3-yl]methyl]quinoline?
The InChIKey is YLATXGFGGZLZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8O2/c1-2-10-33-22(5-1)34-11-9-31-16-19(13-27-31)23-26-14-21-24(28-23)32(30-29-21)15-17-6-7-20-18(12-17)4-3-8-25-20/h3-4,6-8,12-14,16,22H,1-2,5,9-11,15H2.
What are the key properties of 6-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-d]pyrimidin-3-yl]methyl]quinoline?
6-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-d]pyrimidin-3-yl]methyl]quinoline has a molecular weight of 456.51 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-d]pyrimidin-3-yl]methyl]quinoline is sourced from PubChem (CID 59627818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).