6-chloro-3-(2-phenyl-4-pyridinyl)imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)pyrimidin-4-yl]imidazo[1,2-b]pyridazine;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl-methyl-methylimino-oxo-λ6-sulfane;3-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-1-yl]-3-oxopropanenitrile;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-(1,2,4-triazol-4-ylmethyl)morpholine

C91H81ClF8N34O3S — CID 157402065

About 6-chloro-3-(2-phenyl-4-pyridinyl)imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)pyrimidin-4-yl]imidazo[1,2-b]pyridazine;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl-methyl-methylimino-oxo-λ6-sulfane;3-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-1-yl]-3-oxopropanenitrile;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-(1,2,4-triazol-4-ylmethyl)morpholine

6-chloro-3-(2-phenyl-4-pyridinyl)imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)pyrimidin-4-yl]imidazo[1,2-b]pyridazine;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl-methyl-methylimino-oxo-λ6-sulfane;3-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-1-yl]-3-oxopropanenitrile;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-(1,2,4-triazol-4-ylmethyl)morpholine (PubChem CID 157402065) has the molecular formula C91H81ClF8N34O3S and a molecular weight of 1918.39 g/mol. Its IUPAC name is 6-chloro-3-(2-phenyl-4-pyridinyl)imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)pyrimidin-4-yl]imidazo[1,2-b]pyridazine;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl-methyl-methylimino-oxo-λ6-sulfane;3-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-1-yl]-3-oxopropanenitrile;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-(1,2,4-triazol-4-ylmethyl)morpholine.

Molecular Properties

• Compound Name: 6-chloro-3-(2-phenyl-4-pyridinyl)imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)pyrimidin-4-yl]imidazo[1,2-b]pyridazine;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl-methyl-methylimino-oxo-λ6-sulfane;3-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-1-yl]-3-oxopropanenitrile;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-(1,2,4-triazol-4-ylmethyl)morpholine
• PubChem CID: 157402065
• Molecular Formula: C91H81ClF8N34O3S
• Molecular Weight: 1918.39 g/mol
• Exact Mass: 1916.65
• IUPAC Name: 6-chloro-3-(2-phenyl-4-pyridinyl)imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)pyrimidin-4-yl]imidazo[1,2-b]pyridazine;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl-methyl-methylimino-oxo-λ6-sulfane;3-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-1-yl]-3-oxopropanenitrile;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-(1,2,4-triazol-4-ylmethyl)morpholine
• SMILES: CN=S(C)(=O)CC1CCCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1.Clc1ccc2ncc(-c3ccnc(-c4ccccc4)c3)n2n1.FC(F)c1ccc2ncc(-c3cc(N4CCOC(Cn5cnnc5)C4)ncn3)n2n1.FC(F)c1ccc2ncc(-c3cc(N4Cc5ccncc5C4)ncn3)n2n1.N#CCC(=O)N1CCCC(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1
• InChI: InChI=1S/C19H23F2N7OS.C19H17F2N7O.C18H17F2N9O.C18H13F2N7.C17H11ClN4/c1-22-30(2,29)11-13-4-3-7-27(10-13)18-8-15(24-12-25-18)16-9-23-17-6-5-14(19(20)21)26-28(16)17;20-19(21)13-3-4-17-23-9-16(28(17)26-13)15-8-14(24-11-25-15)12-2-1-7-27(10-12)18(29)5-6-22;19-18(20)13-1-2-16-21-6-15(29(16)26-13)14-5-17(23-9-22-14)28-3-4-30-12(8-28)7-27-10-24-25-11-27;19-18(20)13-1-2-16-22-7-15(27(16)25-13)14-5-17(24-10-23-14)26-8-11-3-4-21-6-12(11)9-26;18-16-6-7-17-20-11-15(22(17)21-16)13-8-9-19-14(10-13)12-4-2-1-3-5-12/h5-6,8-9,12-13,19H,3-4,7,10-11H2,1-2H3;3-4,8-9,11-12,19H,1-2,5,7,10H2;1-2,5-6,9-12,18H,3-4,7-8H2;1-7,10,18H,8-9H2;1-11H
• InChIKey: BNHCWIWWIXQRHP-UHFFFAOYSA-N
• XLogP: 14.58
• TPSA: 403.04 Ų
• H-Bond Acceptors: 36
• Rotatable Bonds: 19
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1918.39
LogP ≤ 5	14.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2-phenyl-4-pyridinyl)imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)pyrimidin-4-yl]imidazo[1,2-b]pyridazine;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl-methyl-methylimino-oxo-λ6-sulfane;3-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-1-yl]-3-oxopropanenitrile;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-(1,2,4-triazol-4-ylmethyl)morpholine?

The IUPAC name of 6-chloro-3-(2-phenyl-4-pyridinyl)imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)pyrimidin-4-yl]imidazo[1,2-b]pyridazine;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl-methyl-methylimino-oxo-λ6-sulfane;3-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-1-yl]-3-oxopropanenitrile;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-(1,2,4-triazol-4-ylmethyl)morpholine (CID 157402065) is 6-chloro-3-(2-phenyl-4-pyridinyl)imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)pyrimidin-4-yl]imidazo[1,2-b]pyridazine;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl-methyl-methylimino-oxo-λ6-sulfane;3-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-1-yl]-3-oxopropanenitrile;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-(1,2,4-triazol-4-ylmethyl)morpholine.

What is the SMILES notation for 6-chloro-3-(2-phenyl-4-pyridinyl)imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)pyrimidin-4-yl]imidazo[1,2-b]pyridazine;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl-methyl-methylimino-oxo-λ6-sulfane;3-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-1-yl]-3-oxopropanenitrile;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-(1,2,4-triazol-4-ylmethyl)morpholine?

The canonical SMILES for 6-chloro-3-(2-phenyl-4-pyridinyl)imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)pyrimidin-4-yl]imidazo[1,2-b]pyridazine;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl-methyl-methylimino-oxo-λ6-sulfane;3-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-1-yl]-3-oxopropanenitrile;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-(1,2,4-triazol-4-ylmethyl)morpholine is CN=S(C)(=O)CC1CCCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1.Clc1ccc2ncc(-c3ccnc(-c4ccccc4)c3)n2n1.FC(F)c1ccc2ncc(-c3cc(N4CCOC(Cn5cnnc5)C4)ncn3)n2n1.FC(F)c1ccc2ncc(-c3cc(N4Cc5ccncc5C4)ncn3)n2n1.N#CCC(=O)N1CCCC(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1.

What is the InChIKey of 6-chloro-3-(2-phenyl-4-pyridinyl)imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)pyrimidin-4-yl]imidazo[1,2-b]pyridazine;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl-methyl-methylimino-oxo-λ6-sulfane;3-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-1-yl]-3-oxopropanenitrile;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-(1,2,4-triazol-4-ylmethyl)morpholine?

The InChIKey is BNHCWIWWIXQRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N7OS.C19H17F2N7O.C18H17F2N9O.C18H13F2N7.C17H11ClN4/c1-22-30(2,29)11-13-4-3-7-27(10-13)18-8-15(24-12-25-18)16-9-23-17-6-5-14(19(20)21)26-28(16)17;20-19(21)13-3-4-17-23-9-16(28(17)26-13)15-8-14(24-11-25-15)12-2-1-7-27(10-12)18(29)5-6-22;19-18(20)13-1-2-16-21-6-15(29(16)26-13)14-5-17(23-9-22-14)28-3-4-30-12(8-28)7-27-10-24-25-11-27;19-18(20)13-1-2-16-22-7-15(27(16)25-13)14-5-17(24-10-23-14)26-8-11-3-4-21-6-12(11)9-26;18-16-6-7-17-20-11-15(22(17)21-16)13-8-9-19-14(10-13)12-4-2-1-3-5-12/h5-6,8-9,12-13,19H,3-4,7,10-11H2,1-2H3;3-4,8-9,11-12,19H,1-2,5,7,10H2;1-2,5-6,9-12,18H,3-4,7-8H2;1-7,10,18H,8-9H2;1-11H.

What are the key properties of 6-chloro-3-(2-phenyl-4-pyridinyl)imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)pyrimidin-4-yl]imidazo[1,2-b]pyridazine;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl-methyl-methylimino-oxo-λ6-sulfane;3-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-1-yl]-3-oxopropanenitrile;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-(1,2,4-triazol-4-ylmethyl)morpholine?

6-chloro-3-(2-phenyl-4-pyridinyl)imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)pyrimidin-4-yl]imidazo[1,2-b]pyridazine;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl-methyl-methylimino-oxo-λ6-sulfane;3-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-1-yl]-3-oxopropanenitrile;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-(1,2,4-triazol-4-ylmethyl)morpholine has a molecular weight of 1918.39 g/mol, XLogP of 14.58, 19 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-3-(2-phenyl-4-pyridinyl)imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)pyrimidin-4-yl]imidazo[1,2-b]pyridazine;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl-methyl-methylimino-oxo-λ6-sulfane;3-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-1-yl]-3-oxopropanenitrile;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-(1,2,4-triazol-4-ylmethyl)morpholine is sourced from PubChem (CID 157402065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).