ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 6-chloro-8-methylimidazo[1,2-b]pyridazine-3-carboxylate;1-(4-methoxyphenyl)-N-methylmethanamine

C37H42Cl2N8O6 — CID 158189307

IUPACethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 6-chloro-8-methylimidazo[1,2-b]pyridazine-3-carboxylate;1-(4-methoxyphenyl)-N-methylmethanamine
SMILESCCOC(=O)c1cnc2c(C)cc(Cl)nn12.CCOC(=O)c1cnc2c(N(C)Cc3ccc(OC)cc3)cc(Cl)nn12.CNCc1ccc(OC)cc1
InChIInChI=1S/C18H19ClN4O3.C10H10ClN3O2.C9H13NO/c1-4-26-18(24)15-10-20-17-14(9-16(19)21-23(15)17)22(2)11-12-5-7-13(25-3)8-6-12;1-3-16-10(15)7-5-12-9-6(2)4-8(11)13-14(7)9;1-10-7-8-3-5-9(11-2)6-4-8/h5-10H,4,11H2,1-3H3;4-5H,3H2,1-2H3;3-6,10H,7H2,1-2H3
InChIKeyFZNVRVGGKYIDIX-UHFFFAOYSA-N
MW765.70 g/mol
LogP6.49
Rot. Bonds11

About ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 6-chloro-8-methylimidazo[1,2-b]pyridazine-3-carboxylate;1-(4-methoxyphenyl)-N-methylmethanamine

ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 6-chloro-8-methylimidazo[1,2-b]pyridazine-3-carboxylate;1-(4-methoxyphenyl)-N-methylmethanamine (PubChem CID 158189307) has the molecular formula C37H42Cl2N8O6 and a molecular weight of 765.70 g/mol. Its IUPAC name is ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 6-chloro-8-methylimidazo[1,2-b]pyridazine-3-carboxylate;1-(4-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Nameethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 6-chloro-8-methylimidazo[1,2-b]pyridazine-3-carboxylate;1-(4-methoxyphenyl)-N-methylmethanamine
PubChem CID158189307
Molecular FormulaC37H42Cl2N8O6
Molecular Weight765.70 g/mol
Exact Mass764.26
IUPAC Nameethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 6-chloro-8-methylimidazo[1,2-b]pyridazine-3-carboxylate;1-(4-methoxyphenyl)-N-methylmethanamine
SMILESCCOC(=O)c1cnc2c(C)cc(Cl)nn12.CCOC(=O)c1cnc2c(N(C)Cc3ccc(OC)cc3)cc(Cl)nn12.CNCc1ccc(OC)cc1
InChIInChI=1S/C18H19ClN4O3.C10H10ClN3O2.C9H13NO/c1-4-26-18(24)15-10-20-17-14(9-16(19)21-23(15)17)22(2)11-12-5-7-13(25-3)8-6-12;1-3-16-10(15)7-5-12-9-6(2)4-8(11)13-14(7)9;1-10-7-8-3-5-9(11-2)6-4-8/h5-10H,4,11H2,1-3H3;4-5H,3H2,1-2H3;3-6,10H,7H2,1-2H3
InChIKeyFZNVRVGGKYIDIX-UHFFFAOYSA-N
XLogP6.49
TPSA146.71 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500765.70
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 6-chloro-8-methylimidazo[1,2-b]pyridazine-3-carboxylate;1-(4-methoxyphenyl)-N-methylmethanamine 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

1-[9-(3-Chloro-4-methoxy-benzylamino)-3-ethyl-3H-2,3,4,7,8-pentaaza-cyclopenta[a]naphthalen-6-yl]-1H-imidazole-4-carboxylic acid methylamide
CID 9805655
Ethyl 8-carbamoyl-5-[(2,6-dichlorophenyl)methyl]-7-(2-methoxy-4-piperazin-1-ylanilino)imidazo[1,2-c]pyrimidine-2-carboxylate
CID 57521176
N-[3-(5-chloro-2-methoxyphenyl)-1-[2-(3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70497692
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-[[2-(dimethylamino)-2-oxoethyl]amino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522313
N-[1-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522314
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-[methyl(oxetan-3-yl)amino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522315
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-(2-morpholin-4-yl-2-oxoethoxy)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522329
methyl 2-[[1-(2-[3-[5-chloro-2-(difluoromethoxy)phenyl]-4-[pyrazolo[1,5-a]pyrimidine-3-amido]-1H-pyrazol-1-yl]acetyl)piperidin-4-yl]amino]-acetate
CID 118522334
ethyl 2-[[1-(2-[3-[5-chloro-2-(difluoromethoxy)phenyl]-4-[pyrazolo[1,5-a]pyrimidine-3-amido]-1H-pyrazol-1-yl]acetyl)piperidin-4-yl]amino]-acetate
CID 118522348
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-[2-cyclohexylethyl(methyl)amino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522350
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-(oxan-4-ylmethyl)piperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522356
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-[(3S)-3-methylmorpholin-4-yl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522367

Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 6-chloro-8-methylimidazo[1,2-b]pyridazine-3-carboxylate;1-(4-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 6-chloro-8-methylimidazo[1,2-b]pyridazine-3-carboxylate;1-(4-methoxyphenyl)-N-methylmethanamine (CID 158189307) is ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 6-chloro-8-methylimidazo[1,2-b]pyridazine-3-carboxylate;1-(4-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 6-chloro-8-methylimidazo[1,2-b]pyridazine-3-carboxylate;1-(4-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 6-chloro-8-methylimidazo[1,2-b]pyridazine-3-carboxylate;1-(4-methoxyphenyl)-N-methylmethanamine is CCOC(=O)c1cnc2c(C)cc(Cl)nn12.CCOC(=O)c1cnc2c(N(C)Cc3ccc(OC)cc3)cc(Cl)nn12.CNCc1ccc(OC)cc1.
What is the InChIKey of ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 6-chloro-8-methylimidazo[1,2-b]pyridazine-3-carboxylate;1-(4-methoxyphenyl)-N-methylmethanamine?
The InChIKey is FZNVRVGGKYIDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O3.C10H10ClN3O2.C9H13NO/c1-4-26-18(24)15-10-20-17-14(9-16(19)21-23(15)17)22(2)11-12-5-7-13(25-3)8-6-12;1-3-16-10(15)7-5-12-9-6(2)4-8(11)13-14(7)9;1-10-7-8-3-5-9(11-2)6-4-8/h5-10H,4,11H2,1-3H3;4-5H,3H2,1-2H3;3-6,10H,7H2,1-2H3.
What are the key properties of ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 6-chloro-8-methylimidazo[1,2-b]pyridazine-3-carboxylate;1-(4-methoxyphenyl)-N-methylmethanamine?
ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 6-chloro-8-methylimidazo[1,2-b]pyridazine-3-carboxylate;1-(4-methoxyphenyl)-N-methylmethanamine has a molecular weight of 765.70 g/mol, XLogP of 6.49, 11 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 6-chloro-8-methylimidazo[1,2-b]pyridazine-3-carboxylate;1-(4-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 158189307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).