3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-methoxyimidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;sulfane

C46H42Cl4N8O7S2 — CID 163697718

IUPAC3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-methoxyimidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;sulfane
SMILESCOc1c(C(=O)N[C@H]2CCOc3ccccc32)cnn2c(-c3cc(Cl)cc(Cl)c3)cnc12.COc1c(C(=O)O)cnn2c(-c3cc(Cl)cc(Cl)c3)cnc12.N[C@H]1CCOc2ccccc21.S.S
InChIInChI=1S/C23H18Cl2N4O3.C14H9Cl2N3O3.C9H11NO.2H2S/c1-31-21-17(23(30)28-18-6-7-32-20-5-3-2-4-16(18)20)11-27-29-19(12-26-22(21)29)13-8-14(24)10-15(25)9-13;1-22-12-10(14(20)21)5-18-19-11(6-17-13(12)19)7-2-8(15)4-9(16)3-7;10-8-5-6-11-9-4-2-1-3-7(8)9;;/h2-5,8-12,18H,6-7H2,1H3,(H,28,30);2-6H,1H3,(H,20,21);1-4,8H,5-6,10H2;2*1H2/t18-;;8-;;/m0.0../s1
InChIKeyJYIIIMVYBAPMFE-OHIPAZHTSA-N
MW1024.84 g/mol
LogP10.07
Rot. Bonds7

About 3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-methoxyimidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;sulfane

3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-methoxyimidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;sulfane (PubChem CID 163697718) has the molecular formula C46H42Cl4N8O7S2 and a molecular weight of 1024.84 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-methoxyimidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;sulfane.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-methoxyimidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;sulfane
PubChem CID163697718
Molecular FormulaC46H42Cl4N8O7S2
Molecular Weight1024.84 g/mol
Exact Mass1022.14
IUPAC Name3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-methoxyimidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;sulfane
SMILESCOc1c(C(=O)N[C@H]2CCOc3ccccc32)cnn2c(-c3cc(Cl)cc(Cl)c3)cnc12.COc1c(C(=O)O)cnn2c(-c3cc(Cl)cc(Cl)c3)cnc12.N[C@H]1CCOc2ccccc21.S.S
InChIInChI=1S/C23H18Cl2N4O3.C14H9Cl2N3O3.C9H11NO.2H2S/c1-31-21-17(23(30)28-18-6-7-32-20-5-3-2-4-16(18)20)11-27-29-19(12-26-22(21)29)13-8-14(24)10-15(25)9-13;1-22-12-10(14(20)21)5-18-19-11(6-17-13(12)19)7-2-8(15)4-9(16)3-7;10-8-5-6-11-9-4-2-1-3-7(8)9;;/h2-5,8-12,18H,6-7H2,1H3,(H,28,30);2-6H,1H3,(H,20,21);1-4,8H,5-6,10H2;2*1H2/t18-;;8-;;/m0.0../s1
InChIKeyJYIIIMVYBAPMFE-OHIPAZHTSA-N
XLogP10.07
TPSA189.72 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001024.84
LogP ≤ 510.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze 3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-methoxyimidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;sulfane with MolForge

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Related Compounds

lithium;1,3-dichloro-5-iodobenzene;3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-dichlorophenyl)-8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;ethyl 8-bromo-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxylate;ethyl 8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxylate;methyl 3-(3,5-dichlorophenyl)-8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxylate;morpholine;sulfane;hydroxide;hydrate
CID 163509589
3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-dichlorophenyl)-8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;sulfane
CID 163694787
tert-butyl N-[2-(2-ethyl-4-fluorophenoxy)ethyl]-N-methylcarbamate;ethyl 6-chloroimidazo[1,2-b]pyridazine-3-carboxylate;(3R)-6-fluoro-3,13-dimethyl-2,10-dioxa-13,17,21,22-tetrazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15,17,19-heptaen-14-one;6-[1-[5-fluoro-2-[2-(methylamino)ethoxy]phenyl]ethoxy]imidazo[1,2-b]pyridazine-3-carboxylic acid;6-[1-[5-fluoro-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]phenyl]ethoxy]imidazo[1,2-b]pyridazine-3-carboxylic acid;hydrochloride
CID 162069710
6-chloro-2-phenyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide;deuterio(fluoro)methane;ethyl 6-chloro-2-phenylimidazo[1,2-b]pyridazine-8-carboxylate
CID 162231460
3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide
CID 162494410
3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-morpholin-4-ylimidazo[1,2-b]pyridazine-7-carboxamide
CID 162494422
3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-methoxyimidazo[1,2-b]pyridazine-7-carboxamide
CID 162494425
3-(3,5-Dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylic acid;ethyl 3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylate
CID 163411861
3-cyano-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;3-cyano-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;sulfane
CID 163461249
3-chloro-2-(3,5-dichlorophenyl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;3-chloro-2-(3,5-dichlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid
CID 163494639
8-tert-butyl-3-(3,5-dichlorophenyl)-N-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-methylimidazo[1,2-b]pyridazine-7-carboxamide;8-tert-butyl-3-(3,5-dichlorophenyl)-2-methylimidazo[1,2-b]pyridazine-7-carboxylic acid;bis(2,3-dihydro-1,4-benzoxazin-4-amine);3,4-dihydro-2H-1,4-benzoxazine;4-nitroso-2,3-dihydro-1,4-benzoxazine
CID 163570454
2-acetyl-3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;2-acetyl-3-(3,5-dichlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;methyl 2-acetyl-3-(3,5-dichlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;sulfane
CID 163570492

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-methoxyimidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;sulfane?
The IUPAC name of 3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-methoxyimidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;sulfane (CID 163697718) is 3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-methoxyimidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;sulfane.
What is the SMILES notation for 3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-methoxyimidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;sulfane?
The canonical SMILES for 3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-methoxyimidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;sulfane is COc1c(C(=O)N[C@H]2CCOc3ccccc32)cnn2c(-c3cc(Cl)cc(Cl)c3)cnc12.COc1c(C(=O)O)cnn2c(-c3cc(Cl)cc(Cl)c3)cnc12.N[C@H]1CCOc2ccccc21.S.S.
What is the InChIKey of 3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-methoxyimidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;sulfane?
The InChIKey is JYIIIMVYBAPMFE-OHIPAZHTSA-N. The full InChI is InChI=1S/C23H18Cl2N4O3.C14H9Cl2N3O3.C9H11NO.2H2S/c1-31-21-17(23(30)28-18-6-7-32-20-5-3-2-4-16(18)20)11-27-29-19(12-26-22(21)29)13-8-14(24)10-15(25)9-13;1-22-12-10(14(20)21)5-18-19-11(6-17-13(12)19)7-2-8(15)4-9(16)3-7;10-8-5-6-11-9-4-2-1-3-7(8)9;;/h2-5,8-12,18H,6-7H2,1H3,(H,28,30);2-6H,1H3,(H,20,21);1-4,8H,5-6,10H2;2*1H2/t18-;;8-;;/m0.0../s1.
What are the key properties of 3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-methoxyimidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;sulfane?
3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-methoxyimidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;sulfane has a molecular weight of 1024.84 g/mol, XLogP of 10.07, 7 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-methoxyimidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;sulfane is sourced from PubChem (CID 163697718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).