methyl 6-(2,6-difluorophenyl)-4-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridazine-3-carboxylate

C18H17F2N5O3 — CID 150151503

IUPACmethyl 6-(2,6-difluorophenyl)-4-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridazine-3-carboxylate
SMILESCOCCn1cc(Nc2cc(-c3c(F)cccc3F)nnc2C(=O)OC)cn1
InChIInChI=1S/C18H17F2N5O3/c1-27-7-6-25-10-11(9-21-25)22-15-8-14(23-24-17(15)18(26)28-2)16-12(19)4-3-5-13(16)20/h3-5,8-10H,6-7H2,1-2H3,(H,22,23)
InChIKeyFFIOIAAEOXGBFM-UHFFFAOYSA-N
MW389.36 g/mol
LogP2.79
Rot. Bonds7

About methyl 6-(2,6-difluorophenyl)-4-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridazine-3-carboxylate

methyl 6-(2,6-difluorophenyl)-4-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridazine-3-carboxylate (PubChem CID 150151503) has the molecular formula C18H17F2N5O3 and a molecular weight of 389.36 g/mol. Its IUPAC name is methyl 6-(2,6-difluorophenyl)-4-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2,6-difluorophenyl)-4-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridazine-3-carboxylate
PubChem CID150151503
Molecular FormulaC18H17F2N5O3
Molecular Weight389.36 g/mol
Exact Mass389.13
IUPAC Namemethyl 6-(2,6-difluorophenyl)-4-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridazine-3-carboxylate
SMILESCOCCn1cc(Nc2cc(-c3c(F)cccc3F)nnc2C(=O)OC)cn1
InChIInChI=1S/C18H17F2N5O3/c1-27-7-6-25-10-11(9-21-25)22-15-8-14(23-24-17(15)18(26)28-2)16-12(19)4-3-5-13(16)20/h3-5,8-10H,6-7H2,1-2H3,(H,22,23)
InChIKeyFFIOIAAEOXGBFM-UHFFFAOYSA-N
XLogP2.79
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.36
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(2,6-difluorophenyl)-4-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridazine-3-carboxylate?
The IUPAC name of methyl 6-(2,6-difluorophenyl)-4-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridazine-3-carboxylate (CID 150151503) is methyl 6-(2,6-difluorophenyl)-4-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-(2,6-difluorophenyl)-4-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-(2,6-difluorophenyl)-4-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridazine-3-carboxylate is COCCn1cc(Nc2cc(-c3c(F)cccc3F)nnc2C(=O)OC)cn1.
What is the InChIKey of methyl 6-(2,6-difluorophenyl)-4-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridazine-3-carboxylate?
The InChIKey is FFIOIAAEOXGBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N5O3/c1-27-7-6-25-10-11(9-21-25)22-15-8-14(23-24-17(15)18(26)28-2)16-12(19)4-3-5-13(16)20/h3-5,8-10H,6-7H2,1-2H3,(H,22,23).
What are the key properties of methyl 6-(2,6-difluorophenyl)-4-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridazine-3-carboxylate?
methyl 6-(2,6-difluorophenyl)-4-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridazine-3-carboxylate has a molecular weight of 389.36 g/mol, XLogP of 2.79, 7 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-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridazine-3-carboxylate is sourced from PubChem (CID 150151503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).