6-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]-8-(3,3-difluoro-2-methylpropoxy)imidazo[1,2-b]pyridazine

C22H29F2N5O3 — CID 166827239

IUPAC6-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]-8-(3,3-difluoro-2-methylpropoxy)imidazo[1,2-b]pyridazine
SMILESCC(COc1cc(-c2cnc(OC(C)(C)C)nc2OC(C)(C)C)nn2ccnc12)C(F)F
InChIInChI=1S/C22H29F2N5O3/c1-13(17(23)24)12-30-16-10-15(28-29-9-8-25-18(16)29)14-11-26-20(32-22(5,6)7)27-19(14)31-21(2,3)4/h8-11,13,17H,12H2,1-7H3
InChIKeyBVESIHIVGHUMLI-UHFFFAOYSA-N
MW449.50 g/mol
LogP4.82
Rot. Bonds7

About 6-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]-8-(3,3-difluoro-2-methylpropoxy)imidazo[1,2-b]pyridazine

6-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]-8-(3,3-difluoro-2-methylpropoxy)imidazo[1,2-b]pyridazine (PubChem CID 166827239) has the molecular formula C22H29F2N5O3 and a molecular weight of 449.50 g/mol. Its IUPAC name is 6-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]-8-(3,3-difluoro-2-methylpropoxy)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]-8-(3,3-difluoro-2-methylpropoxy)imidazo[1,2-b]pyridazine
PubChem CID166827239
Molecular FormulaC22H29F2N5O3
Molecular Weight449.50 g/mol
Exact Mass449.22
IUPAC Name6-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]-8-(3,3-difluoro-2-methylpropoxy)imidazo[1,2-b]pyridazine
SMILESCC(COc1cc(-c2cnc(OC(C)(C)C)nc2OC(C)(C)C)nn2ccnc12)C(F)F
InChIInChI=1S/C22H29F2N5O3/c1-13(17(23)24)12-30-16-10-15(28-29-9-8-25-18(16)29)14-11-26-20(32-22(5,6)7)27-19(14)31-21(2,3)4/h8-11,13,17H,12H2,1-7H3
InChIKeyBVESIHIVGHUMLI-UHFFFAOYSA-N
XLogP4.82
TPSA83.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.50
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]-8-(3,3-difluoro-2-methylpropoxy)imidazo[1,2-b]pyridazine?
The IUPAC name of 6-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]-8-(3,3-difluoro-2-methylpropoxy)imidazo[1,2-b]pyridazine (CID 166827239) is 6-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]-8-(3,3-difluoro-2-methylpropoxy)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]-8-(3,3-difluoro-2-methylpropoxy)imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]-8-(3,3-difluoro-2-methylpropoxy)imidazo[1,2-b]pyridazine is CC(COc1cc(-c2cnc(OC(C)(C)C)nc2OC(C)(C)C)nn2ccnc12)C(F)F.
What is the InChIKey of 6-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]-8-(3,3-difluoro-2-methylpropoxy)imidazo[1,2-b]pyridazine?
The InChIKey is BVESIHIVGHUMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29F2N5O3/c1-13(17(23)24)12-30-16-10-15(28-29-9-8-25-18(16)29)14-11-26-20(32-22(5,6)7)27-19(14)31-21(2,3)4/h8-11,13,17H,12H2,1-7H3.
What are the key properties of 6-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]-8-(3,3-difluoro-2-methylpropoxy)imidazo[1,2-b]pyridazine?
6-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]-8-(3,3-difluoro-2-methylpropoxy)imidazo[1,2-b]pyridazine has a molecular weight of 449.50 g/mol, XLogP of 4.82, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]-8-(3,3-difluoro-2-methylpropoxy)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 166827239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).