6-[2-(2,2-difluoroethoxy)phenyl]-5-oxo-2-(oxolan-3-yl)-N-[6-(1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]pyridazine-4-carboxamide

C25H22F6N4O5 — CID 163405204

IUPAC6-[2-(2,2-difluoroethoxy)phenyl]-5-oxo-2-(oxolan-3-yl)-N-[6-(1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]pyridazine-4-carboxamide
SMILESO=C(Nc1ccc(C(O)(C(F)F)C(F)F)nc1)c1cn(C2CCOC2)nc(-c2ccccc2OCC(F)F)c1=O
InChIInChI=1S/C25H22F6N4O5/c26-19(27)12-40-17-4-2-1-3-15(17)20-21(36)16(10-35(34-20)14-7-8-39-11-14)22(37)33-13-5-6-18(32-9-13)25(38,23(28)29)24(30)31/h1-6,9-10,14,19,23-24,38H,7-8,11-12H2,(H,33,37)
InChIKeyYYADVIIBUMEABE-UHFFFAOYSA-N
MW572.46 g/mol
LogP3.88
Rot. Bonds10

About 6-[2-(2,2-difluoroethoxy)phenyl]-5-oxo-2-(oxolan-3-yl)-N-[6-(1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]pyridazine-4-carboxamide

6-[2-(2,2-difluoroethoxy)phenyl]-5-oxo-2-(oxolan-3-yl)-N-[6-(1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]pyridazine-4-carboxamide (PubChem CID 163405204) has the molecular formula C25H22F6N4O5 and a molecular weight of 572.46 g/mol. Its IUPAC name is 6-[2-(2,2-difluoroethoxy)phenyl]-5-oxo-2-(oxolan-3-yl)-N-[6-(1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]pyridazine-4-carboxamide.

Molecular Properties

Compound Name6-[2-(2,2-difluoroethoxy)phenyl]-5-oxo-2-(oxolan-3-yl)-N-[6-(1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]pyridazine-4-carboxamide
PubChem CID163405204
Molecular FormulaC25H22F6N4O5
Molecular Weight572.46 g/mol
Exact Mass572.15
IUPAC Name6-[2-(2,2-difluoroethoxy)phenyl]-5-oxo-2-(oxolan-3-yl)-N-[6-(1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]pyridazine-4-carboxamide
SMILESO=C(Nc1ccc(C(O)(C(F)F)C(F)F)nc1)c1cn(C2CCOC2)nc(-c2ccccc2OCC(F)F)c1=O
InChIInChI=1S/C25H22F6N4O5/c26-19(27)12-40-17-4-2-1-3-15(17)20-21(36)16(10-35(34-20)14-7-8-39-11-14)22(37)33-13-5-6-18(32-9-13)25(38,23(28)29)24(30)31/h1-6,9-10,14,19,23-24,38H,7-8,11-12H2,(H,33,37)
InChIKeyYYADVIIBUMEABE-UHFFFAOYSA-N
XLogP3.88
TPSA115.57 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.46
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,2-difluoroethoxy)phenyl]-5-oxo-2-(oxolan-3-yl)-N-[6-(1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]pyridazine-4-carboxamide?
The IUPAC name of 6-[2-(2,2-difluoroethoxy)phenyl]-5-oxo-2-(oxolan-3-yl)-N-[6-(1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]pyridazine-4-carboxamide (CID 163405204) is 6-[2-(2,2-difluoroethoxy)phenyl]-5-oxo-2-(oxolan-3-yl)-N-[6-(1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]pyridazine-4-carboxamide.
What is the SMILES notation for 6-[2-(2,2-difluoroethoxy)phenyl]-5-oxo-2-(oxolan-3-yl)-N-[6-(1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]pyridazine-4-carboxamide?
The canonical SMILES for 6-[2-(2,2-difluoroethoxy)phenyl]-5-oxo-2-(oxolan-3-yl)-N-[6-(1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]pyridazine-4-carboxamide is O=C(Nc1ccc(C(O)(C(F)F)C(F)F)nc1)c1cn(C2CCOC2)nc(-c2ccccc2OCC(F)F)c1=O.
What is the InChIKey of 6-[2-(2,2-difluoroethoxy)phenyl]-5-oxo-2-(oxolan-3-yl)-N-[6-(1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]pyridazine-4-carboxamide?
The InChIKey is YYADVIIBUMEABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F6N4O5/c26-19(27)12-40-17-4-2-1-3-15(17)20-21(36)16(10-35(34-20)14-7-8-39-11-14)22(37)33-13-5-6-18(32-9-13)25(38,23(28)29)24(30)31/h1-6,9-10,14,19,23-24,38H,7-8,11-12H2,(H,33,37).
What are the key properties of 6-[2-(2,2-difluoroethoxy)phenyl]-5-oxo-2-(oxolan-3-yl)-N-[6-(1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]pyridazine-4-carboxamide?
6-[2-(2,2-difluoroethoxy)phenyl]-5-oxo-2-(oxolan-3-yl)-N-[6-(1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]pyridazine-4-carboxamide has a molecular weight of 572.46 g/mol, XLogP of 3.88, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,2-difluoroethoxy)phenyl]-5-oxo-2-(oxolan-3-yl)-N-[6-(1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]pyridazine-4-carboxamide is sourced from PubChem (CID 163405204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).