3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]-6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[1,2-b]pyridazine

C26H28FN7O2 — CID 69077766

IUPAC3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]-6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[1,2-b]pyridazine
SMILESCC(c1cc2cnn(C)c2cc1F)c1cnc2ccc(-c3cnn(CCOC4CCCCO4)c3)nn12
InChIInChI=1S/C26H28FN7O2/c1-17(20-11-18-13-29-32(2)23(18)12-21(20)27)24-15-28-25-7-6-22(31-34(24)25)19-14-30-33(16-19)8-10-36-26-5-3-4-9-35-26/h6-7,11-17,26H,3-5,8-10H2,1-2H3
InChIKeyNQLDIRYEVQOHCU-UHFFFAOYSA-N
MW489.56 g/mol
LogP4.31
Rot. Bonds7

About 3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]-6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[1,2-b]pyridazine

3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]-6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[1,2-b]pyridazine (PubChem CID 69077766) has the molecular formula C26H28FN7O2 and a molecular weight of 489.56 g/mol. Its IUPAC name is 3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]-6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]-6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[1,2-b]pyridazine
PubChem CID69077766
Molecular FormulaC26H28FN7O2
Molecular Weight489.56 g/mol
Exact Mass489.23
IUPAC Name3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]-6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[1,2-b]pyridazine
SMILESCC(c1cc2cnn(C)c2cc1F)c1cnc2ccc(-c3cnn(CCOC4CCCCO4)c3)nn12
InChIInChI=1S/C26H28FN7O2/c1-17(20-11-18-13-29-32(2)23(18)12-21(20)27)24-15-28-25-7-6-22(31-34(24)25)19-14-30-33(16-19)8-10-36-26-5-3-4-9-35-26/h6-7,11-17,26H,3-5,8-10H2,1-2H3
InChIKeyNQLDIRYEVQOHCU-UHFFFAOYSA-N
XLogP4.31
TPSA84.29 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.56
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]-6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[1,2-b]pyridazine?
The IUPAC name of 3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]-6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[1,2-b]pyridazine (CID 69077766) is 3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]-6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]-6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]-6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[1,2-b]pyridazine is CC(c1cc2cnn(C)c2cc1F)c1cnc2ccc(-c3cnn(CCOC4CCCCO4)c3)nn12.
What is the InChIKey of 3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]-6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[1,2-b]pyridazine?
The InChIKey is NQLDIRYEVQOHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN7O2/c1-17(20-11-18-13-29-32(2)23(18)12-21(20)27)24-15-28-25-7-6-22(31-34(24)25)19-14-30-33(16-19)8-10-36-26-5-3-4-9-35-26/h6-7,11-17,26H,3-5,8-10H2,1-2H3.
What are the key properties of 3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]-6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[1,2-b]pyridazine?
3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]-6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[1,2-b]pyridazine has a molecular weight of 489.56 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]-6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 69077766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).