azane;chloroform;9-[(1S)-1-(3-chloro-6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethyl]purin-6-amine;6-chloro-9-[(1S)-1-(6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethyl]purine;6-chloro-4-N-[(1S)-1-(6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethyl]pyrimidine-4,5-diamine;4,6-dichloropyrimidin-5-amine;diethoxymethoxyethane;ethanol;methane;(1S)-1-(6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethanamine;9-[(1S)-1-(6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethyl]purin-6-amine;sulfane;hydrate

C100H119Cl8N43O5S5 — CID 161132676

About azane;chloroform;9-[(1S)-1-(3-chloro-6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethyl]purin-6-amine;6-chloro-9-[(1S)-1-(6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethyl]purine;6-chloro-4-N-[(1S)-1-(6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethyl]pyrimidine-4,5-diamine;4,6-dichloropyrimidin-5-amine;diethoxymethoxyethane;ethanol;methane;(1S)-1-(6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethanamine;9-[(1S)-1-(6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethyl]purin-6-amine;sulfane;hydrate

azane;chloroform;9-[(1S)-1-(3-chloro-6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethyl]purin-6-amine;6-chloro-9-[(1S)-1-(6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethyl]purine;6-chloro-4-N-[(1S)-1-(6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethyl]pyrimidine-4,5-diamine;4,6-dichloropyrimidin-5-amine;diethoxymethoxyethane;ethanol;methane;(1S)-1-(6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethanamine;9-[(1S)-1-(6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethyl]purin-6-amine;sulfane;hydrate (PubChem CID 161132676) has the molecular formula C100H119Cl8N43O5S5 and a molecular weight of 2447.31 g/mol. Its IUPAC name is azane;chloroform;9-[(1S)-1-(3-chloro-6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethyl]purin-6-amine;6-chloro-9-[(1S)-1-(6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethyl]purine;6-chloro-4-N-[(1S)-1-(6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethyl]pyrimidine-4,5-diamine;4,6-dichloropyrimidin-5-amine;diethoxymethoxyethane;ethanol;methane;(1S)-1-(6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethanamine;9-[(1S)-1-(6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethyl]purin-6-amine;sulfane;hydrate.

Molecular Properties

• Compound Name: azane;chloroform;9-[(1S)-1-(3-chloro-6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethyl]purin-6-amine;6-chloro-9-[(1S)-1-(6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethyl]purine;6-chloro-4-N-[(1S)-1-(6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethyl]pyrimidine-4,5-diamine;4,6-dichloropyrimidin-5-amine;diethoxymethoxyethane;ethanol;methane;(1S)-1-(6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethanamine;9-[(1S)-1-(6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethyl]purin-6-amine;sulfane;hydrate
• PubChem CID: 161132676
• Molecular Formula: C100H119Cl8N43O5S5
• Molecular Weight: 2447.31 g/mol
• Exact Mass: 2441.65
• IUPAC Name: azane;chloroform;9-[(1S)-1-(3-chloro-6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethyl]purin-6-amine;6-chloro-9-[(1S)-1-(6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethyl]purine;6-chloro-4-N-[(1S)-1-(6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethyl]pyrimidine-4,5-diamine;4,6-dichloropyrimidin-5-amine;diethoxymethoxyethane;ethanol;methane;(1S)-1-(6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethanamine;9-[(1S)-1-(6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethyl]purin-6-amine;sulfane;hydrate
• SMILES: C.C.CCO.CCOC(OCC)OCC.C[C@@H](c1cc2ncc(Cl)n2nc1-c1ccccn1)n1cnc2c(N)ncnc21.C[C@@H](c1cc2nccn2nc1-c1ccccn1)n1cnc2c(Cl)ncnc21.C[C@@H](c1cc2nccn2nc1-c1ccccn1)n1cnc2c(N)ncnc21.C[C@H](N)c1cc2nccn2nc1-c1ccccn1.C[C@H](Nc1ncnc(Cl)c1N)c1cc2nccn2nc1-c1ccccn1.ClC(Cl)Cl.N.Nc1c(Cl)ncnc1Cl.O.S.S.S.S.S
• InChI: InChI=1S/C18H14ClN9.C18H13ClN8.C18H15N9.C17H15ClN8.C13H13N5.C7H16O3.C4H3Cl2N3.C2H6O.CHCl3.2CH4.H3N.H2O.5H2S/c1-10(27-9-25-16-17(20)23-8-24-18(16)27)11-6-14-22-7-13(19)28(14)26-15(11)12-4-2-3-5-21-12;2*1-11(26-10-24-16-17(19)22-9-23-18(16)26)12-8-14-21-6-7-27(14)25-15(12)13-4-2-3-5-20-13;1-10(24-17-14(19)16(18)22-9-23-17)11-8-13-21-6-7-26(13)25-15(11)12-4-2-3-5-20-12;1-9(14)10-8-12-16-6-7-18(12)17-13(10)11-4-2-3-5-15-11;1-4-8-7(9-5-2)10-6-3;5-3-2(7)4(6)9-1-8-3;1-2-3;2-1(3)4;;;;;;;;;/h2-10H,1H3,(H2,20,23,24);2-11H,1H3;2-11H,1H3,(H2,19,22,23);2-10H,19H2,1H3,(H,22,23,24);2-9H,14H2,1H3;7H,4-6H2,1-3H3;1H,7H2;3H,2H2,1H3;1H;2*1H4;1H3;6*1H2/t10-;2*11-;10-;9-;;;;;;;;;;;;;/m00000............./s1
• InChIKey: BQKRVDCXHHPIQT-UDDPXLETSA-N
• XLogP: 18.80
• TPSA: 654.31 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 47
• Rotatable Bonds: 21
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2447.31
LogP ≤ 5	18.80
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of azane;chloroform;9-[(1S)-1-(3-chloro-6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethyl]purin-6-amine;6-chloro-9-[(1S)-1-(6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethyl]purine;6-chloro-4-N-[(1S)-1-(6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethyl]pyrimidine-4,5-diamine;4,6-dichloropyrimidin-5-amine;diethoxymethoxyethane;ethanol;methane;(1S)-1-(6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethanamine;9-[(1S)-1-(6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethyl]purin-6-amine;sulfane;hydrate?

The IUPAC name of azane;chloroform;9-[(1S)-1-(3-chloro-6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethyl]purin-6-amine;6-chloro-9-[(1S)-1-(6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethyl]purine;6-chloro-4-N-[(1S)-1-(6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethyl]pyrimidine-4,5-diamine;4,6-dichloropyrimidin-5-amine;diethoxymethoxyethane;ethanol;methane;(1S)-1-(6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethanamine;9-[(1S)-1-(6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethyl]purin-6-amine;sulfane;hydrate (CID 161132676) is azane;chloroform;9-[(1S)-1-(3-chloro-6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethyl]purin-6-amine;6-chloro-9-[(1S)-1-(6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethyl]purine;6-chloro-4-N-[(1S)-1-(6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethyl]pyrimidine-4,5-diamine;4,6-dichloropyrimidin-5-amine;diethoxymethoxyethane;ethanol;methane;(1S)-1-(6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethanamine;9-[(1S)-1-(6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethyl]purin-6-amine;sulfane;hydrate.

What is the SMILES notation for azane;chloroform;9-[(1S)-1-(3-chloro-6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethyl]purin-6-amine;6-chloro-9-[(1S)-1-(6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethyl]purine;6-chloro-4-N-[(1S)-1-(6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethyl]pyrimidine-4,5-diamine;4,6-dichloropyrimidin-5-amine;diethoxymethoxyethane;ethanol;methane;(1S)-1-(6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethanamine;9-[(1S)-1-(6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethyl]purin-6-amine;sulfane;hydrate?

The canonical SMILES for azane;chloroform;9-[(1S)-1-(3-chloro-6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethyl]purin-6-amine;6-chloro-9-[(1S)-1-(6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethyl]purine;6-chloro-4-N-[(1S)-1-(6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethyl]pyrimidine-4,5-diamine;4,6-dichloropyrimidin-5-amine;diethoxymethoxyethane;ethanol;methane;(1S)-1-(6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethanamine;9-[(1S)-1-(6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethyl]purin-6-amine;sulfane;hydrate is C.C.CCO.CCOC(OCC)OCC.C[C@@H](c1cc2ncc(Cl)n2nc1-c1ccccn1)n1cnc2c(N)ncnc21.C[C@@H](c1cc2nccn2nc1-c1ccccn1)n1cnc2c(Cl)ncnc21.C[C@@H](c1cc2nccn2nc1-c1ccccn1)n1cnc2c(N)ncnc21.C[C@H](N)c1cc2nccn2nc1-c1ccccn1.C[C@H](Nc1ncnc(Cl)c1N)c1cc2nccn2nc1-c1ccccn1.ClC(Cl)Cl.N.Nc1c(Cl)ncnc1Cl.O.S.S.S.S.S.

What is the InChIKey of azane;chloroform;9-[(1S)-1-(3-chloro-6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethyl]purin-6-amine;6-chloro-9-[(1S)-1-(6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethyl]purine;6-chloro-4-N-[(1S)-1-(6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethyl]pyrimidine-4,5-diamine;4,6-dichloropyrimidin-5-amine;diethoxymethoxyethane;ethanol;methane;(1S)-1-(6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethanamine;9-[(1S)-1-(6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethyl]purin-6-amine;sulfane;hydrate?

The InChIKey is BQKRVDCXHHPIQT-UDDPXLETSA-N. The full InChI is InChI=1S/C18H14ClN9.C18H13ClN8.C18H15N9.C17H15ClN8.C13H13N5.C7H16O3.C4H3Cl2N3.C2H6O.CHCl3.2CH4.H3N.H2O.5H2S/c1-10(27-9-25-16-17(20)23-8-24-18(16)27)11-6-14-22-7-13(19)28(14)26-15(11)12-4-2-3-5-21-12;2*1-11(26-10-24-16-17(19)22-9-23-18(16)26)12-8-14-21-6-7-27(14)25-15(12)13-4-2-3-5-20-13;1-10(24-17-14(19)16(18)22-9-23-17)11-8-13-21-6-7-26(13)25-15(11)12-4-2-3-5-20-12;1-9(14)10-8-12-16-6-7-18(12)17-13(10)11-4-2-3-5-15-11;1-4-8-7(9-5-2)10-6-3;5-3-2(7)4(6)9-1-8-3;1-2-3;2-1(3)4;;;;;;;;;/h2-10H,1H3,(H2,20,23,24);2-11H,1H3;2-11H,1H3,(H2,19,22,23);2-10H,19H2,1H3,(H,22,23,24);2-9H,14H2,1H3;7H,4-6H2,1-3H3;1H,7H2;3H,2H2,1H3;1H;2*1H4;1H3;6*1H2/t10-;2*11-;10-;9-;;;;;;;;;;;;;/m00000............./s1.

What are the key properties of azane;chloroform;9-[(1S)-1-(3-chloro-6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethyl]purin-6-amine;6-chloro-9-[(1S)-1-(6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethyl]purine;6-chloro-4-N-[(1S)-1-(6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethyl]pyrimidine-4,5-diamine;4,6-dichloropyrimidin-5-amine;diethoxymethoxyethane;ethanol;methane;(1S)-1-(6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethanamine;9-[(1S)-1-(6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethyl]purin-6-amine;sulfane;hydrate?

azane;chloroform;9-[(1S)-1-(3-chloro-6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethyl]purin-6-amine;6-chloro-9-[(1S)-1-(6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethyl]purine;6-chloro-4-N-[(1S)-1-(6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethyl]pyrimidine-4,5-diamine;4,6-dichloropyrimidin-5-amine;diethoxymethoxyethane;ethanol;methane;(1S)-1-(6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethanamine;9-[(1S)-1-(6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethyl]purin-6-amine;sulfane;hydrate has a molecular weight of 2447.31 g/mol, XLogP of 18.80, 21 rotatable bonds, 8 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for azane;chloroform;9-[(1S)-1-(3-chloro-6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethyl]purin-6-amine;6-chloro-9-[(1S)-1-(6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethyl]purine;6-chloro-4-N-[(1S)-1-(6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethyl]pyrimidine-4,5-diamine;4,6-dichloropyrimidin-5-amine;diethoxymethoxyethane;ethanol;methane;(1S)-1-(6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethanamine;9-[(1S)-1-(6-pyridin-2-ylimidazo[1,2-b]pyridazin-7-yl)ethyl]purin-6-amine;sulfane;hydrate is sourced from PubChem (CID 161132676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).