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

C52H52Cl4N10O7S2 — CID 163709379

About 3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-morpholin-4-ylimidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-dichlorophenyl)-8-morpholin-4-ylimidazo[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-morpholin-4-ylimidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-dichlorophenyl)-8-morpholin-4-ylimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;sulfane (PubChem CID 163709379) has the molecular formula C52H52Cl4N10O7S2 and a molecular weight of 1135.00 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-morpholin-4-ylimidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-dichlorophenyl)-8-morpholin-4-ylimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;sulfane.

Molecular Properties

• Compound Name: 3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-morpholin-4-ylimidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-dichlorophenyl)-8-morpholin-4-ylimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;sulfane
• PubChem CID: 163709379
• Molecular Formula: C52H52Cl4N10O7S2
• Molecular Weight: 1135.00 g/mol
• Exact Mass: 1132.22
• IUPAC Name: 3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-morpholin-4-ylimidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-dichlorophenyl)-8-morpholin-4-ylimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;sulfane
• SMILES: N[C@H]1CCOc2ccccc21.O=C(N[C@H]1CCOc2ccccc21)c1cnn2c(-c3cc(Cl)cc(Cl)c3)cnc2c1N1CCOCC1.O=C(O)c1cnn2c(-c3cc(Cl)cc(Cl)c3)cnc2c1N1CCOCC1.S.S
• InChI: InChI=1S/C26H23Cl2N5O3.C17H14Cl2N4O3.C9H11NO.2H2S/c27-17-11-16(12-18(28)13-17)22-15-29-25-24(32-6-9-35-10-7-32)20(14-30-33(22)25)26(34)31-21-5-8-36-23-4-2-1-3-19(21)23;18-11-5-10(6-12(19)7-11)14-9-20-16-15(22-1-3-26-4-2-22)13(17(24)25)8-21-23(14)16;10-8-5-6-11-9-4-2-1-3-7(8)9;;/h1-4,11-15,21H,5-10H2,(H,31,34);5-9H,1-4H2,(H,24,25);1-4,8H,5-6,10H2;2*1H2/t21-;;8-;;/m0.0../s1
• InChIKey: KHVQNPICVHCXGW-TXRYEIFUSA-N
• XLogP: 9.73
• TPSA: 196.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 7
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1135.00
LogP ≤ 5	9.73
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-morpholin-4-ylimidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-dichlorophenyl)-8-morpholin-4-ylimidazo[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-morpholin-4-ylimidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-dichlorophenyl)-8-morpholin-4-ylimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;sulfane (CID 163709379) is 3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-morpholin-4-ylimidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-dichlorophenyl)-8-morpholin-4-ylimidazo[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-morpholin-4-ylimidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-dichlorophenyl)-8-morpholin-4-ylimidazo[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-morpholin-4-ylimidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-dichlorophenyl)-8-morpholin-4-ylimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;sulfane is N[C@H]1CCOc2ccccc21.O=C(N[C@H]1CCOc2ccccc21)c1cnn2c(-c3cc(Cl)cc(Cl)c3)cnc2c1N1CCOCC1.O=C(O)c1cnn2c(-c3cc(Cl)cc(Cl)c3)cnc2c1N1CCOCC1.S.S.

What is the InChIKey of 3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-morpholin-4-ylimidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-dichlorophenyl)-8-morpholin-4-ylimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;sulfane?

The InChIKey is KHVQNPICVHCXGW-TXRYEIFUSA-N. The full InChI is InChI=1S/C26H23Cl2N5O3.C17H14Cl2N4O3.C9H11NO.2H2S/c27-17-11-16(12-18(28)13-17)22-15-29-25-24(32-6-9-35-10-7-32)20(14-30-33(22)25)26(34)31-21-5-8-36-23-4-2-1-3-19(21)23;18-11-5-10(6-12(19)7-11)14-9-20-16-15(22-1-3-26-4-2-22)13(17(24)25)8-21-23(14)16;10-8-5-6-11-9-4-2-1-3-7(8)9;;/h1-4,11-15,21H,5-10H2,(H,31,34);5-9H,1-4H2,(H,24,25);1-4,8H,5-6,10H2;2*1H2/t21-;;8-;;/m0.0../s1.

What are the key properties of 3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-morpholin-4-ylimidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-dichlorophenyl)-8-morpholin-4-ylimidazo[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-morpholin-4-ylimidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-dichlorophenyl)-8-morpholin-4-ylimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;sulfane has a molecular weight of 1135.00 g/mol, XLogP of 9.73, 7 rotatable bonds, 3 hydrogen bond donors, and 15 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-morpholin-4-ylimidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-dichlorophenyl)-8-morpholin-4-ylimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;sulfane is sourced from PubChem (CID 163709379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).