4-[3-[1-(5,7-difluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]-3-methylpiperazin-2-ol

C22H22F2N6O — CID 123698169

IUPAC4-[3-[1-(5,7-difluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]-3-methylpiperazin-2-ol
SMILESCC(c1c(F)cc2ncccc2c1F)c1cnc2ccc(N3CCNC(O)C3C)nn12
InChIInChI=1S/C22H22F2N6O/c1-12(20-15(23)10-16-14(21(20)24)4-3-7-25-16)17-11-27-18-5-6-19(28-30(17)18)29-9-8-26-22(31)13(29)2/h3-7,10-13,22,26,31H,8-9H2,1-2H3
InChIKeyADIXRNKQELJLLK-UHFFFAOYSA-N
MW424.46 g/mol
LogP2.82
Rot. Bonds3

About 4-[3-[1-(5,7-difluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]-3-methylpiperazin-2-ol

4-[3-[1-(5,7-difluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]-3-methylpiperazin-2-ol (PubChem CID 123698169) has the molecular formula C22H22F2N6O and a molecular weight of 424.46 g/mol. Its IUPAC name is 4-[3-[1-(5,7-difluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]-3-methylpiperazin-2-ol.

Molecular Properties

Compound Name4-[3-[1-(5,7-difluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]-3-methylpiperazin-2-ol
PubChem CID123698169
Molecular FormulaC22H22F2N6O
Molecular Weight424.46 g/mol
Exact Mass424.18
IUPAC Name4-[3-[1-(5,7-difluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]-3-methylpiperazin-2-ol
SMILESCC(c1c(F)cc2ncccc2c1F)c1cnc2ccc(N3CCNC(O)C3C)nn12
InChIInChI=1S/C22H22F2N6O/c1-12(20-15(23)10-16-14(21(20)24)4-3-7-25-16)17-11-27-18-5-6-19(28-30(17)18)29-9-8-26-22(31)13(29)2/h3-7,10-13,22,26,31H,8-9H2,1-2H3
InChIKeyADIXRNKQELJLLK-UHFFFAOYSA-N
XLogP2.82
TPSA78.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-(5,7-difluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]-3-methylpiperazin-2-ol?
The IUPAC name of 4-[3-[1-(5,7-difluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]-3-methylpiperazin-2-ol (CID 123698169) is 4-[3-[1-(5,7-difluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]-3-methylpiperazin-2-ol.
What is the SMILES notation for 4-[3-[1-(5,7-difluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]-3-methylpiperazin-2-ol?
The canonical SMILES for 4-[3-[1-(5,7-difluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]-3-methylpiperazin-2-ol is CC(c1c(F)cc2ncccc2c1F)c1cnc2ccc(N3CCNC(O)C3C)nn12.
What is the InChIKey of 4-[3-[1-(5,7-difluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]-3-methylpiperazin-2-ol?
The InChIKey is ADIXRNKQELJLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N6O/c1-12(20-15(23)10-16-14(21(20)24)4-3-7-25-16)17-11-27-18-5-6-19(28-30(17)18)29-9-8-26-22(31)13(29)2/h3-7,10-13,22,26,31H,8-9H2,1-2H3.
What are the key properties of 4-[3-[1-(5,7-difluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]-3-methylpiperazin-2-ol?
4-[3-[1-(5,7-difluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]-3-methylpiperazin-2-ol has a molecular weight of 424.46 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-(5,7-difluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]-3-methylpiperazin-2-ol is sourced from PubChem (CID 123698169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).