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

C25H25N7O2 — CID 66995490

IUPAC6-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
SMILESc1cnc2ccc(Cn3nnc4ccc(-c5cnn(CCOC6CCCCO6)c5)nc43)cc2c1
InChIInChI=1S/C25H25N7O2/c1-2-12-33-24(5-1)34-13-11-31-17-20(15-27-31)22-8-9-23-25(28-22)32(30-29-23)16-18-6-7-21-19(14-18)4-3-10-26-21/h3-4,6-10,14-15,17,24H,1-2,5,11-13,16H2
InChIKeySYRZXJREPPVSLQ-UHFFFAOYSA-N
MW455.52 g/mol
LogP3.83
Rot. Bonds7

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

6-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-b]pyridin-3-yl]methyl]quinoline (PubChem CID 66995490) has the molecular formula C25H25N7O2 and a molecular weight of 455.52 g/mol. Its IUPAC name is 6-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-b]pyridin-3-yl]methyl]quinoline.

Molecular Properties

Compound Name6-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
PubChem CID66995490
Molecular FormulaC25H25N7O2
Molecular Weight455.52 g/mol
Exact Mass455.21
IUPAC Name6-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
SMILESc1cnc2ccc(Cn3nnc4ccc(-c5cnn(CCOC6CCCCO6)c5)nc43)cc2c1
InChIInChI=1S/C25H25N7O2/c1-2-12-33-24(5-1)34-13-11-31-17-20(15-27-31)22-8-9-23-25(28-22)32(30-29-23)16-18-6-7-21-19(14-18)4-3-10-26-21/h3-4,6-10,14-15,17,24H,1-2,5,11-13,16H2
InChIKeySYRZXJREPPVSLQ-UHFFFAOYSA-N
XLogP3.83
TPSA92.77 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-b]pyridin-3-yl]methyl]quinoline?
The IUPAC name of 6-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-b]pyridin-3-yl]methyl]quinoline (CID 66995490) is 6-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-b]pyridin-3-yl]methyl]quinoline.
What is the SMILES notation for 6-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-b]pyridin-3-yl]methyl]quinoline?
The canonical SMILES for 6-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-b]pyridin-3-yl]methyl]quinoline is c1cnc2ccc(Cn3nnc4ccc(-c5cnn(CCOC6CCCCO6)c5)nc43)cc2c1.
What is the InChIKey of 6-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-b]pyridin-3-yl]methyl]quinoline?
The InChIKey is SYRZXJREPPVSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O2/c1-2-12-33-24(5-1)34-13-11-31-17-20(15-27-31)22-8-9-23-25(28-22)32(30-29-23)16-18-6-7-21-19(14-18)4-3-10-26-21/h3-4,6-10,14-15,17,24H,1-2,5,11-13,16H2.
What are the key properties of 6-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-b]pyridin-3-yl]methyl]quinoline?
6-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-b]pyridin-3-yl]methyl]quinoline has a molecular weight of 455.52 g/mol, XLogP of 3.83, 7 rotatable bonds, 0 hydrogen bond donors, and 9 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-b]pyridin-3-yl]methyl]quinoline is sourced from PubChem (CID 66995490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).