6-chloro-3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazine;3-(1,5-dimethylindol-2-yl)-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine

C40H36ClN9 — CID 158002843

IUPAC6-chloro-3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazine;3-(1,5-dimethylindol-2-yl)-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine
SMILESCc1ccc2c(c1)cc(-c1cnc3ccc(Cl)nn13)n2C.Cc1ccc2c(c1)cc(-c1cnc3ccc(Nc4ccc(C)c(C)c4)nn13)n2C
InChIInChI=1S/C24H23N5.C16H13ClN4/c1-15-5-8-20-18(11-15)13-21(28(20)4)22-14-25-24-10-9-23(27-29(22)24)26-19-7-6-16(2)17(3)12-19;1-10-3-4-12-11(7-10)8-13(20(12)2)14-9-18-16-6-5-15(17)19-21(14)16/h5-14H,1-4H3,(H,26,27);3-9H,1-2H3
InChIKeyFDYAFGLGRSRBSY-UHFFFAOYSA-N
MW678.24 g/mol
LogP9.41
Rot. Bonds4

About 6-chloro-3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazine;3-(1,5-dimethylindol-2-yl)-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine

6-chloro-3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazine;3-(1,5-dimethylindol-2-yl)-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 158002843) has the molecular formula C40H36ClN9 and a molecular weight of 678.24 g/mol. Its IUPAC name is 6-chloro-3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazine;3-(1,5-dimethylindol-2-yl)-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name6-chloro-3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazine;3-(1,5-dimethylindol-2-yl)-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID158002843
Molecular FormulaC40H36ClN9
Molecular Weight678.24 g/mol
Exact Mass677.28
IUPAC Name6-chloro-3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazine;3-(1,5-dimethylindol-2-yl)-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine
SMILESCc1ccc2c(c1)cc(-c1cnc3ccc(Cl)nn13)n2C.Cc1ccc2c(c1)cc(-c1cnc3ccc(Nc4ccc(C)c(C)c4)nn13)n2C
InChIInChI=1S/C24H23N5.C16H13ClN4/c1-15-5-8-20-18(11-15)13-21(28(20)4)22-14-25-24-10-9-23(27-29(22)24)26-19-7-6-16(2)17(3)12-19;1-10-3-4-12-11(7-10)8-13(20(12)2)14-9-18-16-6-5-15(17)19-21(14)16/h5-14H,1-4H3,(H,26,27);3-9H,1-2H3
InChIKeyFDYAFGLGRSRBSY-UHFFFAOYSA-N
XLogP9.41
TPSA82.27 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.24
LogP ≤ 59.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-chloro-3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazine;3-(1,5-dimethylindol-2-yl)-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine 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

3-((N-(2-tetrazol-5-yl-6-chlorobenzyl)-5-indolyl)methyl)-5,7-dimethyl-2-ethyl-3H-imidazo(4,5-b)pyridine
CID 192345
5-(3-Chlorophenyl)-7-[(3-methylimidazol-4-yl)-(2-phenylimidazol-1-yl)methyl]tetrazolo[1,5-a]quinazoline
CID 10229664
3-(1h-Indazol-4-yl)-7-(2-methyl-4-((1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836427
7-[2-chloro-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49836540
3-(1H-indazol-4-yl)-7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)naphthalen-1-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836649
(4-chlorophenyl)(5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl)(1-methyl-1H-imidazol-5-yl)methanamine
CID 9935716
(4-Chlorophenyl)-[5-(3-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine
CID 23388879
(4-Chlorophenyl)-[5-(3-chlorophenyl)-1-phenyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine
CID 23388932
2-(3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)-N,N-dimethyl-5-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)aniline
CID 49836646
3-(1H-indazol-4-yl)-7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(trifluoromethyl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836648
3-(1H-indazol-4-yl)-7-(3-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836856
3-(1h-Indazol-4-yl)-7-(4-((1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 52949635

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazine;3-(1,5-dimethylindol-2-yl)-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 6-chloro-3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazine;3-(1,5-dimethylindol-2-yl)-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine (CID 158002843) is 6-chloro-3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazine;3-(1,5-dimethylindol-2-yl)-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 6-chloro-3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazine;3-(1,5-dimethylindol-2-yl)-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 6-chloro-3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazine;3-(1,5-dimethylindol-2-yl)-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine is Cc1ccc2c(c1)cc(-c1cnc3ccc(Cl)nn13)n2C.Cc1ccc2c(c1)cc(-c1cnc3ccc(Nc4ccc(C)c(C)c4)nn13)n2C.
What is the InChIKey of 6-chloro-3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazine;3-(1,5-dimethylindol-2-yl)-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is FDYAFGLGRSRBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5.C16H13ClN4/c1-15-5-8-20-18(11-15)13-21(28(20)4)22-14-25-24-10-9-23(27-29(22)24)26-19-7-6-16(2)17(3)12-19;1-10-3-4-12-11(7-10)8-13(20(12)2)14-9-18-16-6-5-15(17)19-21(14)16/h5-14H,1-4H3,(H,26,27);3-9H,1-2H3.
What are the key properties of 6-chloro-3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazine;3-(1,5-dimethylindol-2-yl)-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine?
6-chloro-3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazine;3-(1,5-dimethylindol-2-yl)-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 678.24 g/mol, XLogP of 9.41, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazine;3-(1,5-dimethylindol-2-yl)-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 158002843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).