methyl 6-(2,6-difluorophenyl)-4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxylate

C21H19F2N3O4 — CID 151704479

IUPACmethyl 6-(2,6-difluorophenyl)-4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxylate
SMILESCOC(=O)c1nnc(-c2c(F)cccc2F)cc1NCc1ccc(OC)cc1OC
InChIInChI=1S/C21H19F2N3O4/c1-28-13-8-7-12(18(9-13)29-2)11-24-17-10-16(25-26-20(17)21(27)30-3)19-14(22)5-4-6-15(19)23/h4-10H,11H2,1-3H3,(H,24,25)
InChIKeyRFHGUNSDVKDUGO-UHFFFAOYSA-N
MW415.40 g/mol
LogP3.84
Rot. Bonds7

About methyl 6-(2,6-difluorophenyl)-4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxylate

methyl 6-(2,6-difluorophenyl)-4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxylate (PubChem CID 151704479) has the molecular formula C21H19F2N3O4 and a molecular weight of 415.40 g/mol. Its IUPAC name is methyl 6-(2,6-difluorophenyl)-4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2,6-difluorophenyl)-4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxylate
PubChem CID151704479
Molecular FormulaC21H19F2N3O4
Molecular Weight415.40 g/mol
Exact Mass415.13
IUPAC Namemethyl 6-(2,6-difluorophenyl)-4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxylate
SMILESCOC(=O)c1nnc(-c2c(F)cccc2F)cc1NCc1ccc(OC)cc1OC
InChIInChI=1S/C21H19F2N3O4/c1-28-13-8-7-12(18(9-13)29-2)11-24-17-10-16(25-26-20(17)21(27)30-3)19-14(22)5-4-6-15(19)23/h4-10H,11H2,1-3H3,(H,24,25)
InChIKeyRFHGUNSDVKDUGO-UHFFFAOYSA-N
XLogP3.84
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.40
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 6-(2,6-difluorophenyl)-4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxylate with MolForge

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Related Compounds

Ethyl 1-[3-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-5-carbonyl]piperidine-3-carboxylate
CID 4567254
Methyl 4-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylate
CID 118568648
methyl (2S)-2-cyclohexyl-2-[[3-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-5-carbonyl]amino]acetate
CID 118568786
Methyl 2-cyclohexyl-2-[[3-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-5-carbonyl]amino]acetate
CID 139393421
(3S)-3-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-5-piperidin-1-ylpentanoic acid
CID 140912114
Methyl 6-(2,6-difluorophenyl)-4-(4-ethoxyanilino)pyridazine-3-carboxylate
CID 150802057
6-(2,6-Difluorophenyl)-4-(4-ethoxyanilino)pyridazine-3-carboxylic acid
CID 152002666
Methyl 4,5-difluoro-2-[[5-[(4-methoxyphenyl)methylamino]pyridazine-3-carbonyl]amino]benzoate
CID 156103381
Ethyl 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]-5-fluoropyridazine-3-carboxylate
CID 167241213
Methyl 6-(5-chloro-2-fluorophenyl)-4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxylate
CID 168072460
6-(5-Chloro-2-fluorophenyl)-4-[(2,4-dimethoxyphenyl)methyl-methylamino]pyridazine-3-carboxylic acid
CID 175411961
6-(5-Chloro-2-fluorophenyl)-4-[2-(2,4-dimethoxyphenyl)ethylamino]pyridazine-3-carboxylic acid
CID 175411963

Frequently Asked Questions

What is the IUPAC name of methyl 6-(2,6-difluorophenyl)-4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxylate?
The IUPAC name of methyl 6-(2,6-difluorophenyl)-4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxylate (CID 151704479) is methyl 6-(2,6-difluorophenyl)-4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-(2,6-difluorophenyl)-4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-(2,6-difluorophenyl)-4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxylate is COC(=O)c1nnc(-c2c(F)cccc2F)cc1NCc1ccc(OC)cc1OC.
What is the InChIKey of methyl 6-(2,6-difluorophenyl)-4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxylate?
The InChIKey is RFHGUNSDVKDUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O4/c1-28-13-8-7-12(18(9-13)29-2)11-24-17-10-16(25-26-20(17)21(27)30-3)19-14(22)5-4-6-15(19)23/h4-10H,11H2,1-3H3,(H,24,25).
What are the key properties of methyl 6-(2,6-difluorophenyl)-4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxylate?
methyl 6-(2,6-difluorophenyl)-4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxylate has a molecular weight of 415.40 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2,6-difluorophenyl)-4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxylate is sourced from PubChem (CID 151704479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).