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

C54H50Cl4F6N10O7S2 — CID 163694787

About 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

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 (PubChem CID 163694787) has the molecular formula C54H50Cl4F6N10O7S2 and a molecular weight of 1270.99 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 163694787
• Molecular Formula: C54H50Cl4F6N10O7S2
• Molecular Weight: 1270.99 g/mol
• Exact Mass: 1268.20
• IUPAC Name: 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
• SMILES: N[C@H]1CCOc2ccccc21.O=C(N[C@H]1CCOc2ccccc21)c1cnn2c(-c3cc(Cl)cc(Cl)c3)c(C(F)(F)F)nc2c1N1CCOCC1.O=C(O)c1cnn2c(-c3cc(Cl)cc(Cl)c3)c(C(F)(F)F)nc2c1N1CCOCC1.S.S
• InChI: InChI=1S/C27H22Cl2F3N5O3.C18H13Cl2F3N4O3.C9H11NO.2H2S/c28-16-11-15(12-17(29)13-16)22-24(27(30,31)32)35-25-23(36-6-9-39-10-7-36)19(14-33-37(22)25)26(38)34-20-5-8-40-21-4-2-1-3-18(20)21;19-10-5-9(6-11(20)7-10)13-15(18(21,22)23)25-16-14(26-1-3-30-4-2-26)12(17(28)29)8-24-27(13)16;10-8-5-6-11-9-4-2-1-3-7(8)9;;/h1-4,11-14,20H,5-10H2,(H,34,38);5-8H,1-4H2,(H,28,29);1-4,8H,5-6,10H2;2*1H2/t20-;;8-;;/m0.0../s1
• InChIKey: JWARSNKAIGCHEV-UYASTRPWSA-N
• XLogP: 11.76
• TPSA: 196.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 7
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1270.99
LogP ≤ 5	11.76
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-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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is N[C@H]1CCOc2ccccc21.O=C(N[C@H]1CCOc2ccccc21)c1cnn2c(-c3cc(Cl)cc(Cl)c3)c(C(F)(F)F)nc2c1N1CCOCC1.O=C(O)c1cnn2c(-c3cc(Cl)cc(Cl)c3)c(C(F)(F)F)nc2c1N1CCOCC1.S.S.

What is the InChIKey of 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?

The InChIKey is JWARSNKAIGCHEV-UYASTRPWSA-N. The full InChI is InChI=1S/C27H22Cl2F3N5O3.C18H13Cl2F3N4O3.C9H11NO.2H2S/c28-16-11-15(12-17(29)13-16)22-24(27(30,31)32)35-25-23(36-6-9-39-10-7-36)19(14-33-37(22)25)26(38)34-20-5-8-40-21-4-2-1-3-18(20)21;19-10-5-9(6-11(20)7-10)13-15(18(21,22)23)25-16-14(26-1-3-30-4-2-26)12(17(28)29)8-24-27(13)16;10-8-5-6-11-9-4-2-1-3-7(8)9;;/h1-4,11-14,20H,5-10H2,(H,34,38);5-8H,1-4H2,(H,28,29);1-4,8H,5-6,10H2;2*1H2/t20-;;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-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?

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 has a molecular weight of 1270.99 g/mol, XLogP of 11.76, 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-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 is sourced from PubChem (CID 163694787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).