5,7-difluoro-6-[[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline

C26H24F2N6O2 — CID 68634255

IUPAC5,7-difluoro-6-[[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline
SMILESFc1cc2ncccc2c(F)c1Cc1cnc2ccc(-c3cnn(CCOC4CCCCO4)c3)nn12
InChIInChI=1S/C26H24F2N6O2/c27-21-13-23-19(4-3-8-29-23)26(28)20(21)12-18-15-30-24-7-6-22(32-34(18)24)17-14-31-33(16-17)9-11-36-25-5-1-2-10-35-25/h3-4,6-8,13-16,25H,1-2,5,9-12H2
InChIKeyVIDWHQIDAROVOJ-UHFFFAOYSA-N
MW490.51 g/mol
LogP4.55
Rot. Bonds7

About 5,7-difluoro-6-[[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline

5,7-difluoro-6-[[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline (PubChem CID 68634255) has the molecular formula C26H24F2N6O2 and a molecular weight of 490.51 g/mol. Its IUPAC name is 5,7-difluoro-6-[[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline.

Molecular Properties

Compound Name5,7-difluoro-6-[[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline
PubChem CID68634255
Molecular FormulaC26H24F2N6O2
Molecular Weight490.51 g/mol
Exact Mass490.19
IUPAC Name5,7-difluoro-6-[[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline
SMILESFc1cc2ncccc2c(F)c1Cc1cnc2ccc(-c3cnn(CCOC4CCCCO4)c3)nn12
InChIInChI=1S/C26H24F2N6O2/c27-21-13-23-19(4-3-8-29-23)26(28)20(21)12-18-15-30-24-7-6-22(32-34(18)24)17-14-31-33(16-17)9-11-36-25-5-1-2-10-35-25/h3-4,6-8,13-16,25H,1-2,5,9-12H2
InChIKeyVIDWHQIDAROVOJ-UHFFFAOYSA-N
XLogP4.55
TPSA79.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.51
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-6-[[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline?
The IUPAC name of 5,7-difluoro-6-[[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline (CID 68634255) is 5,7-difluoro-6-[[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline.
What is the SMILES notation for 5,7-difluoro-6-[[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline?
The canonical SMILES for 5,7-difluoro-6-[[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline is Fc1cc2ncccc2c(F)c1Cc1cnc2ccc(-c3cnn(CCOC4CCCCO4)c3)nn12.
What is the InChIKey of 5,7-difluoro-6-[[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline?
The InChIKey is VIDWHQIDAROVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N6O2/c27-21-13-23-19(4-3-8-29-23)26(28)20(21)12-18-15-30-24-7-6-22(32-34(18)24)17-14-31-33(16-17)9-11-36-25-5-1-2-10-35-25/h3-4,6-8,13-16,25H,1-2,5,9-12H2.
What are the key properties of 5,7-difluoro-6-[[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline?
5,7-difluoro-6-[[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline has a molecular weight of 490.51 g/mol, XLogP of 4.55, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-6-[[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline is sourced from PubChem (CID 68634255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).