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

C26H25FN6O2 — CID 68633407

IUPAC7-fluoro-6-[[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline
SMILESFc1cc2ncccc2cc1Cc1cnc2ccc(-c3cnn(CCOC4CCCCO4)c3)nn12
InChIInChI=1S/C26H25FN6O2/c27-22-14-24-18(4-3-8-28-24)12-19(22)13-21-16-29-25-7-6-23(31-33(21)25)20-15-30-32(17-20)9-11-35-26-5-1-2-10-34-26/h3-4,6-8,12,14-17,26H,1-2,5,9-11,13H2
InChIKeyVUSDQRXNMBPJHK-UHFFFAOYSA-N
MW472.52 g/mol
LogP4.41
Rot. Bonds7

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

7-fluoro-6-[[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline (PubChem CID 68633407) has the molecular formula C26H25FN6O2 and a molecular weight of 472.52 g/mol. Its IUPAC name is 7-fluoro-6-[[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline.

Molecular Properties

Compound Name7-fluoro-6-[[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline
PubChem CID68633407
Molecular FormulaC26H25FN6O2
Molecular Weight472.52 g/mol
Exact Mass472.20
IUPAC Name7-fluoro-6-[[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline
SMILESFc1cc2ncccc2cc1Cc1cnc2ccc(-c3cnn(CCOC4CCCCO4)c3)nn12
InChIInChI=1S/C26H25FN6O2/c27-22-14-24-18(4-3-8-28-24)12-19(22)13-21-16-29-25-7-6-23(31-33(21)25)20-15-30-32(17-20)9-11-35-26-5-1-2-10-34-26/h3-4,6-8,12,14-17,26H,1-2,5,9-11,13H2
InChIKeyVUSDQRXNMBPJHK-UHFFFAOYSA-N
XLogP4.41
TPSA79.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-[[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline?
The IUPAC name of 7-fluoro-6-[[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline (CID 68633407) is 7-fluoro-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 7-fluoro-6-[[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline?
The canonical SMILES for 7-fluoro-6-[[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline is Fc1cc2ncccc2cc1Cc1cnc2ccc(-c3cnn(CCOC4CCCCO4)c3)nn12.
What is the InChIKey of 7-fluoro-6-[[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline?
The InChIKey is VUSDQRXNMBPJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN6O2/c27-22-14-24-18(4-3-8-28-24)12-19(22)13-21-16-29-25-7-6-23(31-33(21)25)20-15-30-32(17-20)9-11-35-26-5-1-2-10-34-26/h3-4,6-8,12,14-17,26H,1-2,5,9-11,13H2.
What are the key properties of 7-fluoro-6-[[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline?
7-fluoro-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 472.52 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-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 68633407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).