methyl 6-(2,6-difluorophenyl)-4-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-3-pyridinyl]amino]pyridazine-3-carboxylate

C22H20F2N4O4 — CID 150124894

IUPACmethyl 6-(2,6-difluorophenyl)-4-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-3-pyridinyl]amino]pyridazine-3-carboxylate
SMILESCOC(=O)c1nnc(-c2c(F)cccc2F)cc1Nc1ccc(C(=O)OC(C)(C)C)nc1
InChIInChI=1S/C22H20F2N4O4/c1-22(2,3)32-20(29)15-9-8-12(11-25-15)26-17-10-16(27-28-19(17)21(30)31-4)18-13(23)6-5-7-14(18)24/h5-11H,1-4H3,(H,26,27)
InChIKeyDZZXWXZZTBIGLQ-UHFFFAOYSA-N
MW442.42 g/mol
LogP4.30
Rot. Bonds5

About methyl 6-(2,6-difluorophenyl)-4-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-3-pyridinyl]amino]pyridazine-3-carboxylate

methyl 6-(2,6-difluorophenyl)-4-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-3-pyridinyl]amino]pyridazine-3-carboxylate (PubChem CID 150124894) has the molecular formula C22H20F2N4O4 and a molecular weight of 442.42 g/mol. Its IUPAC name is methyl 6-(2,6-difluorophenyl)-4-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-3-pyridinyl]amino]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2,6-difluorophenyl)-4-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-3-pyridinyl]amino]pyridazine-3-carboxylate
PubChem CID150124894
Molecular FormulaC22H20F2N4O4
Molecular Weight442.42 g/mol
Exact Mass442.15
IUPAC Namemethyl 6-(2,6-difluorophenyl)-4-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-3-pyridinyl]amino]pyridazine-3-carboxylate
SMILESCOC(=O)c1nnc(-c2c(F)cccc2F)cc1Nc1ccc(C(=O)OC(C)(C)C)nc1
InChIInChI=1S/C22H20F2N4O4/c1-22(2,3)32-20(29)15-9-8-12(11-25-15)26-17-10-16(27-28-19(17)21(30)31-4)18-13(23)6-5-7-14(18)24/h5-11H,1-4H3,(H,26,27)
InChIKeyDZZXWXZZTBIGLQ-UHFFFAOYSA-N
XLogP4.30
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.42
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 6-(2,6-difluorophenyl)-4-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-3-pyridinyl]amino]pyridazine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 6-(2,6-difluorophenyl)-4-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-3-pyridinyl]amino]pyridazine-3-carboxylate?
The IUPAC name of methyl 6-(2,6-difluorophenyl)-4-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-3-pyridinyl]amino]pyridazine-3-carboxylate (CID 150124894) is methyl 6-(2,6-difluorophenyl)-4-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-3-pyridinyl]amino]pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-(2,6-difluorophenyl)-4-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-3-pyridinyl]amino]pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-(2,6-difluorophenyl)-4-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-3-pyridinyl]amino]pyridazine-3-carboxylate is COC(=O)c1nnc(-c2c(F)cccc2F)cc1Nc1ccc(C(=O)OC(C)(C)C)nc1.
What is the InChIKey of methyl 6-(2,6-difluorophenyl)-4-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-3-pyridinyl]amino]pyridazine-3-carboxylate?
The InChIKey is DZZXWXZZTBIGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N4O4/c1-22(2,3)32-20(29)15-9-8-12(11-25-15)26-17-10-16(27-28-19(17)21(30)31-4)18-13(23)6-5-7-14(18)24/h5-11H,1-4H3,(H,26,27).
What are the key properties of methyl 6-(2,6-difluorophenyl)-4-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-3-pyridinyl]amino]pyridazine-3-carboxylate?
methyl 6-(2,6-difluorophenyl)-4-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-3-pyridinyl]amino]pyridazine-3-carboxylate has a molecular weight of 442.42 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2,6-difluorophenyl)-4-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-3-pyridinyl]amino]pyridazine-3-carboxylate is sourced from PubChem (CID 150124894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).