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

C22H18F6N4O4 — CID 163405251

IUPAC6-[2-(2,2-difluoroethoxy)phenyl]-2-methyl-5-oxo-N-[6-(1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]pyridazine-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(C(O)(C(F)F)C(F)F)nc2)c(=O)c(-c2ccccc2OCC(F)F)n1
InChIInChI=1S/C22H18F6N4O4/c1-32-9-13(18(33)17(31-32)12-4-2-3-5-14(12)36-10-16(23)24)19(34)30-11-6-7-15(29-8-11)22(35,20(25)26)21(27)28/h2-9,16,20-21,35H,10H2,1H3,(H,30,34)
InChIKeyOOGWVRHQNXCLMP-UHFFFAOYSA-N
MW516.40 g/mol
LogP3.46
Rot. Bonds9

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

6-[2-(2,2-difluoroethoxy)phenyl]-2-methyl-5-oxo-N-[6-(1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]pyridazine-4-carboxamide (PubChem CID 163405251) has the molecular formula C22H18F6N4O4 and a molecular weight of 516.40 g/mol. Its IUPAC name is 6-[2-(2,2-difluoroethoxy)phenyl]-2-methyl-5-oxo-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]-2-methyl-5-oxo-N-[6-(1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]pyridazine-4-carboxamide
PubChem CID163405251
Molecular FormulaC22H18F6N4O4
Molecular Weight516.40 g/mol
Exact Mass516.12
IUPAC Name6-[2-(2,2-difluoroethoxy)phenyl]-2-methyl-5-oxo-N-[6-(1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]pyridazine-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(C(O)(C(F)F)C(F)F)nc2)c(=O)c(-c2ccccc2OCC(F)F)n1
InChIInChI=1S/C22H18F6N4O4/c1-32-9-13(18(33)17(31-32)12-4-2-3-5-14(12)36-10-16(23)24)19(34)30-11-6-7-15(29-8-11)22(35,20(25)26)21(27)28/h2-9,16,20-21,35H,10H2,1H3,(H,30,34)
InChIKeyOOGWVRHQNXCLMP-UHFFFAOYSA-N
XLogP3.46
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.40
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,2-difluoroethoxy)phenyl]-2-methyl-5-oxo-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]-2-methyl-5-oxo-N-[6-(1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]pyridazine-4-carboxamide (CID 163405251) is 6-[2-(2,2-difluoroethoxy)phenyl]-2-methyl-5-oxo-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]-2-methyl-5-oxo-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]-2-methyl-5-oxo-N-[6-(1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]pyridazine-4-carboxamide is Cn1cc(C(=O)Nc2ccc(C(O)(C(F)F)C(F)F)nc2)c(=O)c(-c2ccccc2OCC(F)F)n1.
What is the InChIKey of 6-[2-(2,2-difluoroethoxy)phenyl]-2-methyl-5-oxo-N-[6-(1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]pyridazine-4-carboxamide?
The InChIKey is OOGWVRHQNXCLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F6N4O4/c1-32-9-13(18(33)17(31-32)12-4-2-3-5-14(12)36-10-16(23)24)19(34)30-11-6-7-15(29-8-11)22(35,20(25)26)21(27)28/h2-9,16,20-21,35H,10H2,1H3,(H,30,34).
What are the key properties of 6-[2-(2,2-difluoroethoxy)phenyl]-2-methyl-5-oxo-N-[6-(1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]pyridazine-4-carboxamide?
6-[2-(2,2-difluoroethoxy)phenyl]-2-methyl-5-oxo-N-[6-(1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]pyridazine-4-carboxamide has a molecular weight of 516.40 g/mol, XLogP of 3.46, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,2-difluoroethoxy)phenyl]-2-methyl-5-oxo-N-[6-(1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]pyridazine-4-carboxamide is sourced from PubChem (CID 163405251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).