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

C26H26N6O2 — CID 66995441

IUPAC6-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[4,5-b]pyridin-3-yl]methyl]quinoline
SMILESc1cnc2ccc(Cn3cnc4ccc(-c5cnn(CCOC6CCCCO6)c5)nc43)cc2c1
InChIInChI=1S/C26H26N6O2/c1-2-12-33-25(5-1)34-13-11-32-17-21(15-29-32)23-8-9-24-26(30-23)31(18-28-24)16-19-6-7-22-20(14-19)4-3-10-27-22/h3-4,6-10,14-15,17-18,25H,1-2,5,11-13,16H2
InChIKeyWYHMGKKHEXQPLZ-UHFFFAOYSA-N
MW454.53 g/mol
LogP4.43
Rot. Bonds7

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

6-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[4,5-b]pyridin-3-yl]methyl]quinoline (PubChem CID 66995441) has the molecular formula C26H26N6O2 and a molecular weight of 454.53 g/mol. Its IUPAC name is 6-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[4,5-b]pyridin-3-yl]methyl]quinoline.

Molecular Properties

Compound Name6-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[4,5-b]pyridin-3-yl]methyl]quinoline
PubChem CID66995441
Molecular FormulaC26H26N6O2
Molecular Weight454.53 g/mol
Exact Mass454.21
IUPAC Name6-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[4,5-b]pyridin-3-yl]methyl]quinoline
SMILESc1cnc2ccc(Cn3cnc4ccc(-c5cnn(CCOC6CCCCO6)c5)nc43)cc2c1
InChIInChI=1S/C26H26N6O2/c1-2-12-33-25(5-1)34-13-11-32-17-21(15-29-32)23-8-9-24-26(30-23)31(18-28-24)16-19-6-7-22-20(14-19)4-3-10-27-22/h3-4,6-10,14-15,17-18,25H,1-2,5,11-13,16H2
InChIKeyWYHMGKKHEXQPLZ-UHFFFAOYSA-N
XLogP4.43
TPSA79.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[4,5-b]pyridin-3-yl]methyl]quinoline?
The IUPAC name of 6-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[4,5-b]pyridin-3-yl]methyl]quinoline (CID 66995441) is 6-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[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]imidazo[4,5-b]pyridin-3-yl]methyl]quinoline?
The canonical SMILES for 6-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[4,5-b]pyridin-3-yl]methyl]quinoline is c1cnc2ccc(Cn3cnc4ccc(-c5cnn(CCOC6CCCCO6)c5)nc43)cc2c1.
What is the InChIKey of 6-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[4,5-b]pyridin-3-yl]methyl]quinoline?
The InChIKey is WYHMGKKHEXQPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2/c1-2-12-33-25(5-1)34-13-11-32-17-21(15-29-32)23-8-9-24-26(30-23)31(18-28-24)16-19-6-7-22-20(14-19)4-3-10-27-22/h3-4,6-10,14-15,17-18,25H,1-2,5,11-13,16H2.
What are the key properties of 6-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[4,5-b]pyridin-3-yl]methyl]quinoline?
6-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[4,5-b]pyridin-3-yl]methyl]quinoline has a molecular weight of 454.53 g/mol, XLogP of 4.43, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[4,5-b]pyridin-3-yl]methyl]quinoline is sourced from PubChem (CID 66995441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).