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

C24H26F2N6O4 — CID 151078838

IUPACmethyl 6-(2,6-difluorophenyl)-4-[[1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methyl]pyrazol-4-yl]amino]pyridazine-3-carboxylate
SMILESCOC(=O)c1nnc(-c2c(F)cccc2F)cc1Nc1cnn(CC2CN(C(=O)OC(C)(C)C)C2)c1
InChIInChI=1S/C24H26F2N6O4/c1-24(2,3)36-23(34)31-10-14(11-31)12-32-13-15(9-27-32)28-19-8-18(29-30-21(19)22(33)35-4)20-16(25)6-5-7-17(20)26/h5-9,13-14H,10-12H2,1-4H3,(H,28,29)
InChIKeyMJROQVBHXVYYDB-UHFFFAOYSA-N
MW500.51 g/mol
LogP4.02
Rot. Bonds6

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

methyl 6-(2,6-difluorophenyl)-4-[[1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methyl]pyrazol-4-yl]amino]pyridazine-3-carboxylate (PubChem CID 151078838) has the molecular formula C24H26F2N6O4 and a molecular weight of 500.51 g/mol. Its IUPAC name is methyl 6-(2,6-difluorophenyl)-4-[[1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methyl]pyrazol-4-yl]amino]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2,6-difluorophenyl)-4-[[1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methyl]pyrazol-4-yl]amino]pyridazine-3-carboxylate
PubChem CID151078838
Molecular FormulaC24H26F2N6O4
Molecular Weight500.51 g/mol
Exact Mass500.20
IUPAC Namemethyl 6-(2,6-difluorophenyl)-4-[[1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methyl]pyrazol-4-yl]amino]pyridazine-3-carboxylate
SMILESCOC(=O)c1nnc(-c2c(F)cccc2F)cc1Nc1cnn(CC2CN(C(=O)OC(C)(C)C)C2)c1
InChIInChI=1S/C24H26F2N6O4/c1-24(2,3)36-23(34)31-10-14(11-31)12-32-13-15(9-27-32)28-19-8-18(29-30-21(19)22(33)35-4)20-16(25)6-5-7-17(20)26/h5-9,13-14H,10-12H2,1-4H3,(H,28,29)
InChIKeyMJROQVBHXVYYDB-UHFFFAOYSA-N
XLogP4.02
TPSA111.47 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.51
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze methyl 6-(2,6-difluorophenyl)-4-[[1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methyl]pyrazol-4-yl]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

methyl 6-(2,6-difluorophenyl)-4-[(6-morpholin-4-yl-3-pyridinyl)amino]pyridazine-3-carboxylate
CID 151960591
tert-butyl 3-[[4-(5-cyano-2-fluorophenyl)pyrazol-1-yl]methyl]azetidine-1-carboxylate
CID 172915325
tert-butyl 3-[[4-[[4-[(2-fluorophenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]pyrazol-1-yl]methyl]pyrrolidine-1-carboxylate
CID 123469510
tert-butyl (2R)-2-[6-[[1-(2-methoxy-2-oxoethyl)pyrazol-4-yl]amino]-2-pyridinyl]morpholine-4-carboxylate
CID 125003737
tert-butyl 3-[(4-piperidin-4-ylpyrazol-1-yl)methyl]azetidine-1-carboxylate
CID 122240953
tert-butyl 3-[(4-fluoropyrazol-1-yl)methyl]piperidine-1-carboxylate
CID 139500307
tert-butyl 3-(pyrazol-1-ylmethyl)azetidine-1-carboxylate
CID 67979283
6-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]-4-[(3-fluorophenyl)methylamino]pyridazine-3-carboxamide
CID 118320648
6-(2-chloro-6-fluorophenyl)-4-[4-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]anilino]pyridazine-3-carboxylic acid
CID 175721133
tert-butyl 3-[[4-(4-cyano-2-methoxyphenyl)pyrazol-1-yl]methyl]azetidine-1-carboxylate
CID 172914755
methyl 3-[(4-bromopyrazol-1-yl)methyl]azetidine-1-carboxylate
CID 178121840
tert-butyl 3-[[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]-1,4-dihydropyrimidin-5-yl]pyrazol-1-yl]methyl]azetidine-1-carboxylate
CID 123163997

Frequently Asked Questions

What is the IUPAC name of methyl 6-(2,6-difluorophenyl)-4-[[1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methyl]pyrazol-4-yl]amino]pyridazine-3-carboxylate?
The IUPAC name of methyl 6-(2,6-difluorophenyl)-4-[[1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methyl]pyrazol-4-yl]amino]pyridazine-3-carboxylate (CID 151078838) is methyl 6-(2,6-difluorophenyl)-4-[[1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methyl]pyrazol-4-yl]amino]pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-(2,6-difluorophenyl)-4-[[1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methyl]pyrazol-4-yl]amino]pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-(2,6-difluorophenyl)-4-[[1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methyl]pyrazol-4-yl]amino]pyridazine-3-carboxylate is COC(=O)c1nnc(-c2c(F)cccc2F)cc1Nc1cnn(CC2CN(C(=O)OC(C)(C)C)C2)c1.
What is the InChIKey of methyl 6-(2,6-difluorophenyl)-4-[[1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methyl]pyrazol-4-yl]amino]pyridazine-3-carboxylate?
The InChIKey is MJROQVBHXVYYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N6O4/c1-24(2,3)36-23(34)31-10-14(11-31)12-32-13-15(9-27-32)28-19-8-18(29-30-21(19)22(33)35-4)20-16(25)6-5-7-17(20)26/h5-9,13-14H,10-12H2,1-4H3,(H,28,29).
What are the key properties of methyl 6-(2,6-difluorophenyl)-4-[[1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methyl]pyrazol-4-yl]amino]pyridazine-3-carboxylate?
methyl 6-(2,6-difluorophenyl)-4-[[1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methyl]pyrazol-4-yl]amino]pyridazine-3-carboxylate has a molecular weight of 500.51 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2,6-difluorophenyl)-4-[[1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methyl]pyrazol-4-yl]amino]pyridazine-3-carboxylate is sourced from PubChem (CID 151078838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).