6-chloro-2-[(2S)-1-[1-(6-methyl-2-pyridinyl)ethenyl]piperidin-2-yl]imidazo[1,2-b]pyridazine;6-chloro-2-[(2S)-piperidin-2-yl]imidazo[1,2-b]pyridazine;6-methylpyridine-2-carboxylic acid

C37H40Cl2N10O2 — CID 158929898

IUPAC6-chloro-2-[(2S)-1-[1-(6-methyl-2-pyridinyl)ethenyl]piperidin-2-yl]imidazo[1,2-b]pyridazine;6-chloro-2-[(2S)-piperidin-2-yl]imidazo[1,2-b]pyridazine;6-methylpyridine-2-carboxylic acid
SMILESC=C(c1cccc(C)n1)N1CCCC[C@H]1c1cn2nc(Cl)ccc2n1.Cc1cccc(C(=O)O)n1.Clc1ccc2nc([C@@H]3CCCCN3)cn2n1
InChIInChI=1S/C19H20ClN5.C11H13ClN4.C7H7NO2/c1-13-6-5-7-15(21-13)14(2)24-11-4-3-8-17(24)16-12-25-19(22-16)10-9-18(20)23-25;12-10-4-5-11-14-9(7-16(11)15-10)8-3-1-2-6-13-8;1-5-3-2-4-6(8-5)7(9)10/h5-7,9-10,12,17H,2-4,8,11H2,1H3;4-5,7-8,13H,1-3,6H2;2-4H,1H3,(H,9,10)/t17-;8-;/m00./s1
InChIKeyJIXNTQUZXHHIIU-JRECXKOQSA-N
MW727.70 g/mol
LogP7.57
Rot. Bonds5

About 6-chloro-2-[(2S)-1-[1-(6-methyl-2-pyridinyl)ethenyl]piperidin-2-yl]imidazo[1,2-b]pyridazine;6-chloro-2-[(2S)-piperidin-2-yl]imidazo[1,2-b]pyridazine;6-methylpyridine-2-carboxylic acid

6-chloro-2-[(2S)-1-[1-(6-methyl-2-pyridinyl)ethenyl]piperidin-2-yl]imidazo[1,2-b]pyridazine;6-chloro-2-[(2S)-piperidin-2-yl]imidazo[1,2-b]pyridazine;6-methylpyridine-2-carboxylic acid (PubChem CID 158929898) has the molecular formula C37H40Cl2N10O2 and a molecular weight of 727.70 g/mol. Its IUPAC name is 6-chloro-2-[(2S)-1-[1-(6-methyl-2-pyridinyl)ethenyl]piperidin-2-yl]imidazo[1,2-b]pyridazine;6-chloro-2-[(2S)-piperidin-2-yl]imidazo[1,2-b]pyridazine;6-methylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-[(2S)-1-[1-(6-methyl-2-pyridinyl)ethenyl]piperidin-2-yl]imidazo[1,2-b]pyridazine;6-chloro-2-[(2S)-piperidin-2-yl]imidazo[1,2-b]pyridazine;6-methylpyridine-2-carboxylic acid
PubChem CID158929898
Molecular FormulaC37H40Cl2N10O2
Molecular Weight727.70 g/mol
Exact Mass726.27
IUPAC Name6-chloro-2-[(2S)-1-[1-(6-methyl-2-pyridinyl)ethenyl]piperidin-2-yl]imidazo[1,2-b]pyridazine;6-chloro-2-[(2S)-piperidin-2-yl]imidazo[1,2-b]pyridazine;6-methylpyridine-2-carboxylic acid
SMILESC=C(c1cccc(C)n1)N1CCCC[C@H]1c1cn2nc(Cl)ccc2n1.Cc1cccc(C(=O)O)n1.Clc1ccc2nc([C@@H]3CCCCN3)cn2n1
InChIInChI=1S/C19H20ClN5.C11H13ClN4.C7H7NO2/c1-13-6-5-7-15(21-13)14(2)24-11-4-3-8-17(24)16-12-25-19(22-16)10-9-18(20)23-25;12-10-4-5-11-14-9(7-16(11)15-10)8-3-1-2-6-13-8;1-5-3-2-4-6(8-5)7(9)10/h5-7,9-10,12,17H,2-4,8,11H2,1H3;4-5,7-8,13H,1-3,6H2;2-4H,1H3,(H,9,10)/t17-;8-;/m00./s1
InChIKeyJIXNTQUZXHHIIU-JRECXKOQSA-N
XLogP7.57
TPSA138.73 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500727.70
LogP ≤ 57.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 6-chloro-2-[(2S)-1-[1-(6-methyl-2-pyridinyl)ethenyl]piperidin-2-yl]imidazo[1,2-b]pyridazine;6-chloro-2-[(2S)-piperidin-2-yl]imidazo[1,2-b]pyridazine;6-methylpyridine-2-carboxylic acid with MolForge

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Related Compounds

5-[3-[6-Carboxy-5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-3-pyridinyl]propyl]-6-chloro-3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]pyridine-2-carboxylic acid
CID 167013215
6-[(4-Imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methyl]pyridine-2-carboxylic acid
CID 77079075
1-amino-2-methylpropan-2-ol;N-(2-hydroxy-2-methylpropyl)-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-2-carboxamide;4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-2-carboxamide;4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-2-carboxylic acid
CID 161800391
3,6-dichloro-N-[3-(methylamino)-6-(trifluoromethyl)pyridazin-4-yl]pyridine-2-carboxamide;3,6-dichloropyridine-2-carboxylic acid;6-(3,6-dichloro-2-pyridinyl)-7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazine;3-N,6-dimethylpyridazine-3,4-diamine
CID 163553705
[(2S)-2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)piperidin-1-yl]-(5-chloro-2-methylphenyl)methanone;5-chloro-2-methylbenzoic acid;6-chloro-2-[(2S)-piperidin-2-yl]imidazo[1,2-b]pyridazine
CID 157382625
2-amino-5-chlorobenzoic acid;(2-amino-5-chlorophenyl)-[(2S)-2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone;5-chloro-6-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine
CID 158487799
4-Boronobenzoic acid;6-chloroimidazo[1,2-b]pyridazine;4-imidazo[1,2-b]pyridazin-6-ylbenzoic acid;[4-(3-iodoimidazo[1,2-b]pyridazin-6-yl)phenyl]-(4-methylpiperazin-1-yl)methanone;1-methylpiperazine
CID 158961728
[(2S)-2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone;6-chloro-2-[(2S)-piperidin-2-yl]imidazo[1,2-b]pyridazine;6-methylpyridine-2-carboxylic acid
CID 159870220
(2S)-1-[5-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carbonyl]pyrrolidine-2-carboxamide;5-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;hydrochloride
CID 160254709
4-(6-Chloro-3-pyridinyl)-1-cyclohexyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;1-cyclohexyl-4-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;2,6-dimethylmorpholine
CID 160582595
[(2S)-2-[6-[(3S)-3-aminopyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone;tert-butyl N-[(3S)-pyrrolidin-3-yl]carbamate;[(2S)-2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 160649160
5-(aminomethyl)-1,6-diethyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine;6-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methylcarbamoyl]pyridine-2-carboxylic acid;pyridine-2,6-dicarboxylic acid;hydrochloride
CID 160768244

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(2S)-1-[1-(6-methyl-2-pyridinyl)ethenyl]piperidin-2-yl]imidazo[1,2-b]pyridazine;6-chloro-2-[(2S)-piperidin-2-yl]imidazo[1,2-b]pyridazine;6-methylpyridine-2-carboxylic acid?
The IUPAC name of 6-chloro-2-[(2S)-1-[1-(6-methyl-2-pyridinyl)ethenyl]piperidin-2-yl]imidazo[1,2-b]pyridazine;6-chloro-2-[(2S)-piperidin-2-yl]imidazo[1,2-b]pyridazine;6-methylpyridine-2-carboxylic acid (CID 158929898) is 6-chloro-2-[(2S)-1-[1-(6-methyl-2-pyridinyl)ethenyl]piperidin-2-yl]imidazo[1,2-b]pyridazine;6-chloro-2-[(2S)-piperidin-2-yl]imidazo[1,2-b]pyridazine;6-methylpyridine-2-carboxylic acid.
What is the SMILES notation for 6-chloro-2-[(2S)-1-[1-(6-methyl-2-pyridinyl)ethenyl]piperidin-2-yl]imidazo[1,2-b]pyridazine;6-chloro-2-[(2S)-piperidin-2-yl]imidazo[1,2-b]pyridazine;6-methylpyridine-2-carboxylic acid?
The canonical SMILES for 6-chloro-2-[(2S)-1-[1-(6-methyl-2-pyridinyl)ethenyl]piperidin-2-yl]imidazo[1,2-b]pyridazine;6-chloro-2-[(2S)-piperidin-2-yl]imidazo[1,2-b]pyridazine;6-methylpyridine-2-carboxylic acid is C=C(c1cccc(C)n1)N1CCCC[C@H]1c1cn2nc(Cl)ccc2n1.Cc1cccc(C(=O)O)n1.Clc1ccc2nc([C@@H]3CCCCN3)cn2n1.
What is the InChIKey of 6-chloro-2-[(2S)-1-[1-(6-methyl-2-pyridinyl)ethenyl]piperidin-2-yl]imidazo[1,2-b]pyridazine;6-chloro-2-[(2S)-piperidin-2-yl]imidazo[1,2-b]pyridazine;6-methylpyridine-2-carboxylic acid?
The InChIKey is JIXNTQUZXHHIIU-JRECXKOQSA-N. The full InChI is InChI=1S/C19H20ClN5.C11H13ClN4.C7H7NO2/c1-13-6-5-7-15(21-13)14(2)24-11-4-3-8-17(24)16-12-25-19(22-16)10-9-18(20)23-25;12-10-4-5-11-14-9(7-16(11)15-10)8-3-1-2-6-13-8;1-5-3-2-4-6(8-5)7(9)10/h5-7,9-10,12,17H,2-4,8,11H2,1H3;4-5,7-8,13H,1-3,6H2;2-4H,1H3,(H,9,10)/t17-;8-;/m00./s1.
What are the key properties of 6-chloro-2-[(2S)-1-[1-(6-methyl-2-pyridinyl)ethenyl]piperidin-2-yl]imidazo[1,2-b]pyridazine;6-chloro-2-[(2S)-piperidin-2-yl]imidazo[1,2-b]pyridazine;6-methylpyridine-2-carboxylic acid?
6-chloro-2-[(2S)-1-[1-(6-methyl-2-pyridinyl)ethenyl]piperidin-2-yl]imidazo[1,2-b]pyridazine;6-chloro-2-[(2S)-piperidin-2-yl]imidazo[1,2-b]pyridazine;6-methylpyridine-2-carboxylic acid has a molecular weight of 727.70 g/mol, XLogP of 7.57, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(2S)-1-[1-(6-methyl-2-pyridinyl)ethenyl]piperidin-2-yl]imidazo[1,2-b]pyridazine;6-chloro-2-[(2S)-piperidin-2-yl]imidazo[1,2-b]pyridazine;6-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 158929898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).