methyl 6-(2,6-difluorophenyl)-4-[[3-fluoro-5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridazine-3-carboxylate

C22H21F3N6O2 — CID 150548145

IUPACmethyl 6-(2,6-difluorophenyl)-4-[[3-fluoro-5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridazine-3-carboxylate
SMILESCOC(=O)c1nnc(-c2c(F)cccc2F)cc1Nc1ncc(N2CCN(C)CC2)cc1F
InChIInChI=1S/C22H21F3N6O2/c1-30-6-8-31(9-7-30)13-10-16(25)21(26-12-13)27-18-11-17(28-29-20(18)22(32)33-2)19-14(23)4-3-5-15(19)24/h3-5,10-12H,6-9H2,1-2H3,(H,26,27,28)
InChIKeyIHHMILPWPJWTMP-UHFFFAOYSA-N
MW458.44 g/mol
LogP3.24
Rot. Bonds5

About methyl 6-(2,6-difluorophenyl)-4-[[3-fluoro-5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridazine-3-carboxylate

methyl 6-(2,6-difluorophenyl)-4-[[3-fluoro-5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridazine-3-carboxylate (PubChem CID 150548145) has the molecular formula C22H21F3N6O2 and a molecular weight of 458.44 g/mol. Its IUPAC name is methyl 6-(2,6-difluorophenyl)-4-[[3-fluoro-5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2,6-difluorophenyl)-4-[[3-fluoro-5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridazine-3-carboxylate
PubChem CID150548145
Molecular FormulaC22H21F3N6O2
Molecular Weight458.44 g/mol
Exact Mass458.17
IUPAC Namemethyl 6-(2,6-difluorophenyl)-4-[[3-fluoro-5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridazine-3-carboxylate
SMILESCOC(=O)c1nnc(-c2c(F)cccc2F)cc1Nc1ncc(N2CCN(C)CC2)cc1F
InChIInChI=1S/C22H21F3N6O2/c1-30-6-8-31(9-7-30)13-10-16(25)21(26-12-13)27-18-11-17(28-29-20(18)22(32)33-2)19-14(23)4-3-5-15(19)24/h3-5,10-12H,6-9H2,1-2H3,(H,26,27,28)
InChIKeyIHHMILPWPJWTMP-UHFFFAOYSA-N
XLogP3.24
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 6-(2,6-difluorophenyl)-4-[[3-fluoro-5-(4-methylpiperazin-1-yl)-2-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

Related Compounds

6-(2,6-difluorophenyl)-4-[[3-fluoro-5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridazine-3-carboxylic acid
CID 152535877
methyl 6-(2,6-difluorophenyl)-4-[(5-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxylate
CID 152566275
6-(2,6-difluorophenyl)-4-[4-(4-methyl-2-oxopiperazin-1-yl)anilino]pyridazine-3-carboxamide
CID 163811469
methyl 3-[[5-fluoro-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzoate
CID 162721140
methyl 4-(4-methylpiperazin-1-yl)phthalazine-1-carboxylate
CID 6418780
methyl 1-(4-chlorophenyl)-4-[4-(4-methylpiperazin-1-yl)anilino]-6-oxopyridazine-3-carboxylate
CID 102358283
2,6-difluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzamide
CID 86992589
5-chloro-N-(2-fluoro-6-methoxyphenyl)-N-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyridine-4-carboxamide
CID 169085630
6-(2,6-difluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)amino]pyridine-3-carboxamide
CID 174998817
methyl 5-chloro-2-[[4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]pyrimidine-4-carboxylate
CID 169085557
methyl 5-amino-1-[4-(4-methylpiperazin-1-yl)phenyl]triazole-4-carboxylate
CID 94939028
1-[4-[4-[[5-fluoro-4-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
CID 118105735

Frequently Asked Questions

What is the IUPAC name of methyl 6-(2,6-difluorophenyl)-4-[[3-fluoro-5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridazine-3-carboxylate?
The IUPAC name of methyl 6-(2,6-difluorophenyl)-4-[[3-fluoro-5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridazine-3-carboxylate (CID 150548145) is methyl 6-(2,6-difluorophenyl)-4-[[3-fluoro-5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-(2,6-difluorophenyl)-4-[[3-fluoro-5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-(2,6-difluorophenyl)-4-[[3-fluoro-5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridazine-3-carboxylate is COC(=O)c1nnc(-c2c(F)cccc2F)cc1Nc1ncc(N2CCN(C)CC2)cc1F.
What is the InChIKey of methyl 6-(2,6-difluorophenyl)-4-[[3-fluoro-5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridazine-3-carboxylate?
The InChIKey is IHHMILPWPJWTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N6O2/c1-30-6-8-31(9-7-30)13-10-16(25)21(26-12-13)27-18-11-17(28-29-20(18)22(32)33-2)19-14(23)4-3-5-15(19)24/h3-5,10-12H,6-9H2,1-2H3,(H,26,27,28).
What are the key properties of methyl 6-(2,6-difluorophenyl)-4-[[3-fluoro-5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridazine-3-carboxylate?
methyl 6-(2,6-difluorophenyl)-4-[[3-fluoro-5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridazine-3-carboxylate has a molecular weight of 458.44 g/mol, XLogP of 3.24, 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-[[3-fluoro-5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridazine-3-carboxylate is sourced from PubChem (CID 150548145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).