3-cyclopropyl-4-[6-(2,3-difluorophenoxy)-8-(methylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide

C24H21F2N5O2 — CID 66693928

IUPAC3-cyclopropyl-4-[6-(2,3-difluorophenoxy)-8-(methylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
SMILESCNc1cc(Oc2cccc(F)c2F)nn2c(-c3ccc(C(N)=O)c(C)c3C3CC3)cnc12
InChIInChI=1S/C24H21F2N5O2/c1-12-14(23(27)32)8-9-15(21(12)13-6-7-13)18-11-29-24-17(28-2)10-20(30-31(18)24)33-19-5-3-4-16(25)22(19)26/h3-5,8-11,13,28H,6-7H2,1-2H3,(H2,27,32)
InChIKeyTYWQSDNCUGFZOH-UHFFFAOYSA-N
MW449.46 g/mol
LogP4.79
Rot. Bonds6

About 3-cyclopropyl-4-[6-(2,3-difluorophenoxy)-8-(methylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide

3-cyclopropyl-4-[6-(2,3-difluorophenoxy)-8-(methylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide (PubChem CID 66693928) has the molecular formula C24H21F2N5O2 and a molecular weight of 449.46 g/mol. Its IUPAC name is 3-cyclopropyl-4-[6-(2,3-difluorophenoxy)-8-(methylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide.

Molecular Properties

Compound Name3-cyclopropyl-4-[6-(2,3-difluorophenoxy)-8-(methylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
PubChem CID66693928
Molecular FormulaC24H21F2N5O2
Molecular Weight449.46 g/mol
Exact Mass449.17
IUPAC Name3-cyclopropyl-4-[6-(2,3-difluorophenoxy)-8-(methylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
SMILESCNc1cc(Oc2cccc(F)c2F)nn2c(-c3ccc(C(N)=O)c(C)c3C3CC3)cnc12
InChIInChI=1S/C24H21F2N5O2/c1-12-14(23(27)32)8-9-15(21(12)13-6-7-13)18-11-29-24-17(28-2)10-20(30-31(18)24)33-19-5-3-4-16(25)22(19)26/h3-5,8-11,13,28H,6-7H2,1-2H3,(H2,27,32)
InChIKeyTYWQSDNCUGFZOH-UHFFFAOYSA-N
XLogP4.79
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.46
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4-[6-(2,3-difluorophenoxy)-8-(methylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide?
The IUPAC name of 3-cyclopropyl-4-[6-(2,3-difluorophenoxy)-8-(methylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide (CID 66693928) is 3-cyclopropyl-4-[6-(2,3-difluorophenoxy)-8-(methylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide.
What is the SMILES notation for 3-cyclopropyl-4-[6-(2,3-difluorophenoxy)-8-(methylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide?
The canonical SMILES for 3-cyclopropyl-4-[6-(2,3-difluorophenoxy)-8-(methylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide is CNc1cc(Oc2cccc(F)c2F)nn2c(-c3ccc(C(N)=O)c(C)c3C3CC3)cnc12.
What is the InChIKey of 3-cyclopropyl-4-[6-(2,3-difluorophenoxy)-8-(methylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide?
The InChIKey is TYWQSDNCUGFZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N5O2/c1-12-14(23(27)32)8-9-15(21(12)13-6-7-13)18-11-29-24-17(28-2)10-20(30-31(18)24)33-19-5-3-4-16(25)22(19)26/h3-5,8-11,13,28H,6-7H2,1-2H3,(H2,27,32).
What are the key properties of 3-cyclopropyl-4-[6-(2,3-difluorophenoxy)-8-(methylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide?
3-cyclopropyl-4-[6-(2,3-difluorophenoxy)-8-(methylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide has a molecular weight of 449.46 g/mol, XLogP of 4.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-[6-(2,3-difluorophenoxy)-8-(methylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide is sourced from PubChem (CID 66693928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).