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

C21H27F2N5O3 — CID 157032369

IUPAC6-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]-8-(2,2-difluoropropoxy)imidazo[1,2-b]pyridazine
SMILESCC(F)(F)COc1cc(-c2cnc(OC(C)(C)C)nc2OC(C)(C)C)nn2ccnc12
InChIInChI=1S/C21H27F2N5O3/c1-19(2,3)30-17-13(11-25-18(26-17)31-20(4,5)6)14-10-15(29-12-21(7,22)23)16-24-8-9-28(16)27-14/h8-11H,12H2,1-7H3
InChIKeyWZMLOVMCYYDNAB-UHFFFAOYSA-N
MW435.48 g/mol
LogP4.57
Rot. Bonds6

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

6-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]-8-(2,2-difluoropropoxy)imidazo[1,2-b]pyridazine (PubChem CID 157032369) has the molecular formula C21H27F2N5O3 and a molecular weight of 435.48 g/mol. Its IUPAC name is 6-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]-8-(2,2-difluoropropoxy)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]-8-(2,2-difluoropropoxy)imidazo[1,2-b]pyridazine
PubChem CID157032369
Molecular FormulaC21H27F2N5O3
Molecular Weight435.48 g/mol
Exact Mass435.21
IUPAC Name6-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]-8-(2,2-difluoropropoxy)imidazo[1,2-b]pyridazine
SMILESCC(F)(F)COc1cc(-c2cnc(OC(C)(C)C)nc2OC(C)(C)C)nn2ccnc12
InChIInChI=1S/C21H27F2N5O3/c1-19(2,3)30-17-13(11-25-18(26-17)31-20(4,5)6)14-10-15(29-12-21(7,22)23)16-24-8-9-28(16)27-14/h8-11H,12H2,1-7H3
InChIKeyWZMLOVMCYYDNAB-UHFFFAOYSA-N
XLogP4.57
TPSA83.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-[6-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]imidazo[1,2-b]pyridazin-8-yl]oxy-2,2-difluoropropan-1-ol
CID 157034441
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
[3-[6-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]imidazo[1,2-b]pyridazin-8-yl]oxy-2,2-difluoropropyl] N-(2,4-difluorophenyl)carbamate
CID 157034052
5-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]oxy-4,4-difluoro-N-(2,2,2-trifluoroethyl)pentanamide
CID 157034855
7-[2-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]-2-oxa-7-azaspiro[3.4]octane
CID 170606760
8-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine
CID 167340310
6-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropyl]-4-(2,2,2-trifluoroethoxy)quinoline
CID 157033656
8-cyclopropyl-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine;1-methyl-2-(trifluoromethyl)benzene
CID 157032652
6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S,2S)-2-[1-(trifluoromethyl)pyrazol-4-yl]cyclopropyl]imidazo[1,2-b]pyridazine
CID 157034073
6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S,2S)-2-[6-(trifluoromethyl)-3-pyridinyl]cyclopropyl]imidazo[1,2-b]pyridazine
CID 157033180
6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S)-2-(2-methoxyphenyl)cyclopropyl]imidazo[1,2-b]pyridazine
CID 166827416
7-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropyl]-2-(2,2,2-trifluoroethoxy)quinoline
CID 157034213

Frequently Asked Questions

What is the IUPAC name of 6-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]-8-(2,2-difluoropropoxy)imidazo[1,2-b]pyridazine?
The IUPAC name of 6-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]-8-(2,2-difluoropropoxy)imidazo[1,2-b]pyridazine (CID 157032369) is 6-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]-8-(2,2-difluoropropoxy)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]-8-(2,2-difluoropropoxy)imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]-8-(2,2-difluoropropoxy)imidazo[1,2-b]pyridazine is CC(F)(F)COc1cc(-c2cnc(OC(C)(C)C)nc2OC(C)(C)C)nn2ccnc12.
What is the InChIKey of 6-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]-8-(2,2-difluoropropoxy)imidazo[1,2-b]pyridazine?
The InChIKey is WZMLOVMCYYDNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F2N5O3/c1-19(2,3)30-17-13(11-25-18(26-17)31-20(4,5)6)14-10-15(29-12-21(7,22)23)16-24-8-9-28(16)27-14/h8-11H,12H2,1-7H3.
What are the key properties of 6-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]-8-(2,2-difluoropropoxy)imidazo[1,2-b]pyridazine?
6-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]-8-(2,2-difluoropropoxy)imidazo[1,2-b]pyridazine has a molecular weight of 435.48 g/mol, XLogP of 4.57, 6 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-(2,2-difluoropropoxy)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 157032369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).