[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

C28H30F4N6O5 — CID 157034052

IUPAC[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
SMILESCC(C)(C)Oc1ncc(-c2cc(OCC(F)(F)COC(=O)Nc3ccc(F)cc3F)c3nccn3n2)c(OC(C)(C)C)n1
InChIInChI=1S/C28H30F4N6O5/c1-26(2,3)42-23-17(13-34-24(36-23)43-27(4,5)6)20-12-21(22-33-9-10-38(22)37-20)40-14-28(31,32)15-41-25(39)35-19-8-7-16(29)11-18(19)30/h7-13H,14-15H2,1-6H3,(H,35,39)
InChIKeyDLJXEEFVTIGPGS-UHFFFAOYSA-N
MW606.58 g/mol
LogP6.08
Rot. Bonds9

About [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

[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 (PubChem CID 157034052) has the molecular formula C28H30F4N6O5 and a molecular weight of 606.58 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID157034052
Molecular FormulaC28H30F4N6O5
Molecular Weight606.58 g/mol
Exact Mass606.22
IUPAC Name[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
SMILESCC(C)(C)Oc1ncc(-c2cc(OCC(F)(F)COC(=O)Nc3ccc(F)cc3F)c3nccn3n2)c(OC(C)(C)C)n1
InChIInChI=1S/C28H30F4N6O5/c1-26(2,3)42-23-17(13-34-24(36-23)43-27(4,5)6)20-12-21(22-33-9-10-38(22)37-20)40-14-28(31,32)15-41-25(39)35-19-8-7-16(29)11-18(19)30/h7-13H,14-15H2,1-6H3,(H,35,39)
InChIKeyDLJXEEFVTIGPGS-UHFFFAOYSA-N
XLogP6.08
TPSA121.99 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.58
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze [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 with MolForge

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Related Compounds

[3-[6-(2,4-dioxo-1,3-diazinan-5-yl)imidazo[1,2-b]pyridazin-8-yl]oxy-2,2-difluoropropyl] N-(2-fluorophenyl)carbamate
CID 171368478
1-(2,4-difluorophenyl)-3-(2-ethoxypyrimidin-5-yl)urea
CID 122301865
N-(2,4-difluorophenyl)-1-methylimidazole-2-carboxamide
CID 110467265
N-(2,4-difluorophenyl)-2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide
CID 53334331
5-fluoro-2-(2,2,2-trifluoroethoxycarbonylamino)benzoic acid
CID 61170206
[(2S)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl] N-(2,4-difluorophenyl)carbamate
CID 44589701
ethyl N-[6-[5-amino-2-(2,4-difluorophenoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]carbamate
CID 134516299
2-(ethylamino)ethyl N-(2,4-difluorophenyl)carbamate
CID 79337416
2-(2-chloroethoxy)ethyl N-(2,4-difluorophenyl)carbamate
CID 113360062
[(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]butan-2-yl] N-(2,4-difluorophenyl)carbamate
CID 44589662
N-(2,4-difluorophenyl)-2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetamide
CID 110500320
2-(aminomethyl)-N-(2,4-difluorophenyl)pyridine-4-carboxamide
CID 114325533

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CC(C)(C)Oc1ncc(-c2cc(OCC(F)(F)COC(=O)Nc3ccc(F)cc3F)c3nccn3n2)c(OC(C)(C)C)n1.
What is the InChIKey of [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?
The InChIKey is DLJXEEFVTIGPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F4N6O5/c1-26(2,3)42-23-17(13-34-24(36-23)43-27(4,5)6)20-12-21(22-33-9-10-38(22)37-20)40-14-28(31,32)15-41-25(39)35-19-8-7-16(29)11-18(19)30/h7-13H,14-15H2,1-6H3,(H,35,39).
What are the key properties of [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?
[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 has a molecular weight of 606.58 g/mol, XLogP of 6.08, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 157034052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).