(5,7-difluoroquinolin-6-yl)-[6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methanol

C20H14F2N6O — CID 68640982

IUPAC(5,7-difluoroquinolin-6-yl)-[6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methanol
SMILESCn1cc(-c2ccc3ncc(C(O)c4c(F)cc5ncccc5c4F)n3n2)cn1
InChIInChI=1S/C20H14F2N6O/c1-27-10-11(8-25-27)14-4-5-17-24-9-16(28(17)26-14)20(29)18-13(21)7-15-12(19(18)22)3-2-6-23-15/h2-10,20,29H,1H3
InChIKeyZDNUHXDXBKOZGR-UHFFFAOYSA-N
MW392.37 g/mol
LogP3.04
Rot. Bonds3

About (5,7-difluoroquinolin-6-yl)-[6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methanol

(5,7-difluoroquinolin-6-yl)-[6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methanol (PubChem CID 68640982) has the molecular formula C20H14F2N6O and a molecular weight of 392.37 g/mol. Its IUPAC name is (5,7-difluoroquinolin-6-yl)-[6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methanol.

Molecular Properties

Compound Name(5,7-difluoroquinolin-6-yl)-[6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methanol
PubChem CID68640982
Molecular FormulaC20H14F2N6O
Molecular Weight392.37 g/mol
Exact Mass392.12
IUPAC Name(5,7-difluoroquinolin-6-yl)-[6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methanol
SMILESCn1cc(-c2ccc3ncc(C(O)c4c(F)cc5ncccc5c4F)n3n2)cn1
InChIInChI=1S/C20H14F2N6O/c1-27-10-11(8-25-27)14-4-5-17-24-9-16(28(17)26-14)20(29)18-13(21)7-15-12(19(18)22)3-2-6-23-15/h2-10,20,29H,1H3
InChIKeyZDNUHXDXBKOZGR-UHFFFAOYSA-N
XLogP3.04
TPSA81.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.37
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5,7-difluoroquinolin-6-yl)-[6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methanol?
The IUPAC name of (5,7-difluoroquinolin-6-yl)-[6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methanol (CID 68640982) is (5,7-difluoroquinolin-6-yl)-[6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methanol.
What is the SMILES notation for (5,7-difluoroquinolin-6-yl)-[6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methanol?
The canonical SMILES for (5,7-difluoroquinolin-6-yl)-[6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methanol is Cn1cc(-c2ccc3ncc(C(O)c4c(F)cc5ncccc5c4F)n3n2)cn1.
What is the InChIKey of (5,7-difluoroquinolin-6-yl)-[6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methanol?
The InChIKey is ZDNUHXDXBKOZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N6O/c1-27-10-11(8-25-27)14-4-5-17-24-9-16(28(17)26-14)20(29)18-13(21)7-15-12(19(18)22)3-2-6-23-15/h2-10,20,29H,1H3.
What are the key properties of (5,7-difluoroquinolin-6-yl)-[6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methanol?
(5,7-difluoroquinolin-6-yl)-[6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methanol has a molecular weight of 392.37 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-difluoroquinolin-6-yl)-[6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methanol is sourced from PubChem (CID 68640982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).