2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N,5-di(propan-2-yl)pyridin-4-amine;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(4-methyloxan-4-yl)-5-propan-2-ylpyridin-4-amine;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(3-methyloxetan-3-yl)-5-propan-2-ylpyridin-4-amine;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(oxan-4-yl)-5-propan-2-ylpyridin-4-amine;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(oxetan-3-yl)-5-propan-2-ylpyridin-4-amine;methyl 2-[4-[[2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-5-propan-2-yl-4-pyridinyl]amino]cyclohexyl]acetate

C132H144N24O6 — CID 159850172

About 2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N,5-di(propan-2-yl)pyridin-4-amine;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(4-methyloxan-4-yl)-5-propan-2-ylpyridin-4-amine;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(3-methyloxetan-3-yl)-5-propan-2-ylpyridin-4-amine;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(oxan-4-yl)-5-propan-2-ylpyridin-4-amine;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(oxetan-3-yl)-5-propan-2-ylpyridin-4-amine;methyl 2-[4-[[2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-5-propan-2-yl-4-pyridinyl]amino]cyclohexyl]acetate

2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N,5-di(propan-2-yl)pyridin-4-amine;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(4-methyloxan-4-yl)-5-propan-2-ylpyridin-4-amine;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(3-methyloxetan-3-yl)-5-propan-2-ylpyridin-4-amine;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(oxan-4-yl)-5-propan-2-ylpyridin-4-amine;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(oxetan-3-yl)-5-propan-2-ylpyridin-4-amine;methyl 2-[4-[[2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-5-propan-2-yl-4-pyridinyl]amino]cyclohexyl]acetate (PubChem CID 159850172) has the molecular formula C132H144N24O6 and a molecular weight of 2162.77 g/mol. Its IUPAC name is 2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N,5-di(propan-2-yl)pyridin-4-amine;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(4-methyloxan-4-yl)-5-propan-2-ylpyridin-4-amine;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(3-methyloxetan-3-yl)-5-propan-2-ylpyridin-4-amine;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(oxan-4-yl)-5-propan-2-ylpyridin-4-amine;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(oxetan-3-yl)-5-propan-2-ylpyridin-4-amine;methyl 2-[4-[[2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-5-propan-2-yl-4-pyridinyl]amino]cyclohexyl]acetate.

Molecular Properties

• Compound Name: 2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N,5-di(propan-2-yl)pyridin-4-amine;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(4-methyloxan-4-yl)-5-propan-2-ylpyridin-4-amine;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(3-methyloxetan-3-yl)-5-propan-2-ylpyridin-4-amine;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(oxan-4-yl)-5-propan-2-ylpyridin-4-amine;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(oxetan-3-yl)-5-propan-2-ylpyridin-4-amine;methyl 2-[4-[[2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-5-propan-2-yl-4-pyridinyl]amino]cyclohexyl]acetate
• PubChem CID: 159850172
• Molecular Formula: C132H144N24O6
• Molecular Weight: 2162.77 g/mol
• Exact Mass: 2161.17
• IUPAC Name: 2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N,5-di(propan-2-yl)pyridin-4-amine;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(4-methyloxan-4-yl)-5-propan-2-ylpyridin-4-amine;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(3-methyloxetan-3-yl)-5-propan-2-ylpyridin-4-amine;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(oxan-4-yl)-5-propan-2-ylpyridin-4-amine;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(oxetan-3-yl)-5-propan-2-ylpyridin-4-amine;methyl 2-[4-[[2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-5-propan-2-yl-4-pyridinyl]amino]cyclohexyl]acetate
• SMILES: C#Cc1cnn2c(-c3cc(NC(C)C)c(C(C)C)cn3)ccc2c1.C#Cc1cnn2c(-c3cc(NC4(C)CCOCC4)c(C(C)C)cn3)ccc2c1.C#Cc1cnn2c(-c3cc(NC4(C)COC4)c(C(C)C)cn3)ccc2c1.C#Cc1cnn2c(-c3cc(NC4CCC(CC(=O)OC)CC4)c(C(C)C)cn3)ccc2c1.C#Cc1cnn2c(-c3cc(NC4CCOCC4)c(C(C)C)cn3)ccc2c1.C#Cc1cnn2c(-c3cc(NC4COC4)c(C(C)C)cn3)ccc2c1
• InChI: InChI=1S/C26H30N4O2.C23H26N4O.C22H24N4O.C21H22N4O.C20H20N4O.C20H22N4/c1-5-18-12-21-10-11-25(30(21)28-15-18)24-14-23(22(16-27-24)17(2)3)29-20-8-6-19(7-9-20)13-26(31)32-4;1-5-17-12-18-6-7-22(27(18)25-14-17)21-13-20(19(15-24-21)16(2)3)26-23(4)8-10-28-11-9-23;1-4-16-11-18-5-6-22(26(18)24-13-16)21-12-20(19(14-23-21)15(2)3)25-17-7-9-27-10-8-17;1-5-15-8-16-6-7-20(25(16)23-10-15)19-9-18(17(11-22-19)14(2)3)24-21(4)12-26-13-21;1-4-14-7-16-5-6-20(24(16)22-9-14)19-8-18(23-15-11-25-12-15)17(10-21-19)13(2)3;1-6-15-9-16-7-8-20(24(16)22-11-15)19-10-18(23-14(4)5)17(12-21-19)13(2)3/h1,10-12,14-17,19-20H,6-9,13H2,2-4H3,(H,27,29);1,6-7,12-16H,8-11H2,2-4H3,(H,24,26);1,5-6,11-15,17H,7-10H2,2-3H3,(H,23,25);1,6-11,14H,12-13H2,2-4H3,(H,22,24);1,5-10,13,15H,11-12H2,2-3H3,(H,21,23);1,7-14H,2-5H3,(H,21,23)
• InChIKey: NPVFZQCBVPRBMH-UHFFFAOYSA-N
• XLogP: 24.94
• TPSA: 316.54 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 26
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2162.77
LogP ≤ 5	24.94
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N,5-di(propan-2-yl)pyridin-4-amine;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(4-methyloxan-4-yl)-5-propan-2-ylpyridin-4-amine;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(3-methyloxetan-3-yl)-5-propan-2-ylpyridin-4-amine;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(oxan-4-yl)-5-propan-2-ylpyridin-4-amine;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(oxetan-3-yl)-5-propan-2-ylpyridin-4-amine;methyl 2-[4-[[2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-5-propan-2-yl-4-pyridinyl]amino]cyclohexyl]acetate?

The IUPAC name of 2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N,5-di(propan-2-yl)pyridin-4-amine;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(4-methyloxan-4-yl)-5-propan-2-ylpyridin-4-amine;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(3-methyloxetan-3-yl)-5-propan-2-ylpyridin-4-amine;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(oxan-4-yl)-5-propan-2-ylpyridin-4-amine;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(oxetan-3-yl)-5-propan-2-ylpyridin-4-amine;methyl 2-[4-[[2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-5-propan-2-yl-4-pyridinyl]amino]cyclohexyl]acetate (CID 159850172) is 2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N,5-di(propan-2-yl)pyridin-4-amine;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(4-methyloxan-4-yl)-5-propan-2-ylpyridin-4-amine;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(3-methyloxetan-3-yl)-5-propan-2-ylpyridin-4-amine;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(oxan-4-yl)-5-propan-2-ylpyridin-4-amine;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(oxetan-3-yl)-5-propan-2-ylpyridin-4-amine;methyl 2-[4-[[2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-5-propan-2-yl-4-pyridinyl]amino]cyclohexyl]acetate.

What is the SMILES notation for 2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N,5-di(propan-2-yl)pyridin-4-amine;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(4-methyloxan-4-yl)-5-propan-2-ylpyridin-4-amine;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(3-methyloxetan-3-yl)-5-propan-2-ylpyridin-4-amine;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(oxan-4-yl)-5-propan-2-ylpyridin-4-amine;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(oxetan-3-yl)-5-propan-2-ylpyridin-4-amine;methyl 2-[4-[[2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-5-propan-2-yl-4-pyridinyl]amino]cyclohexyl]acetate?

The canonical SMILES for 2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N,5-di(propan-2-yl)pyridin-4-amine;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(4-methyloxan-4-yl)-5-propan-2-ylpyridin-4-amine;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(3-methyloxetan-3-yl)-5-propan-2-ylpyridin-4-amine;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(oxan-4-yl)-5-propan-2-ylpyridin-4-amine;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(oxetan-3-yl)-5-propan-2-ylpyridin-4-amine;methyl 2-[4-[[2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-5-propan-2-yl-4-pyridinyl]amino]cyclohexyl]acetate is C#Cc1cnn2c(-c3cc(NC(C)C)c(C(C)C)cn3)ccc2c1.C#Cc1cnn2c(-c3cc(NC4(C)CCOCC4)c(C(C)C)cn3)ccc2c1.C#Cc1cnn2c(-c3cc(NC4(C)COC4)c(C(C)C)cn3)ccc2c1.C#Cc1cnn2c(-c3cc(NC4CCC(CC(=O)OC)CC4)c(C(C)C)cn3)ccc2c1.C#Cc1cnn2c(-c3cc(NC4CCOCC4)c(C(C)C)cn3)ccc2c1.C#Cc1cnn2c(-c3cc(NC4COC4)c(C(C)C)cn3)ccc2c1.

What is the InChIKey of 2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N,5-di(propan-2-yl)pyridin-4-amine;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(4-methyloxan-4-yl)-5-propan-2-ylpyridin-4-amine;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(3-methyloxetan-3-yl)-5-propan-2-ylpyridin-4-amine;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(oxan-4-yl)-5-propan-2-ylpyridin-4-amine;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(oxetan-3-yl)-5-propan-2-ylpyridin-4-amine;methyl 2-[4-[[2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-5-propan-2-yl-4-pyridinyl]amino]cyclohexyl]acetate?

The InChIKey is NPVFZQCBVPRBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2.C23H26N4O.C22H24N4O.C21H22N4O.C20H20N4O.C20H22N4/c1-5-18-12-21-10-11-25(30(21)28-15-18)24-14-23(22(16-27-24)17(2)3)29-20-8-6-19(7-9-20)13-26(31)32-4;1-5-17-12-18-6-7-22(27(18)25-14-17)21-13-20(19(15-24-21)16(2)3)26-23(4)8-10-28-11-9-23;1-4-16-11-18-5-6-22(26(18)24-13-16)21-12-20(19(14-23-21)15(2)3)25-17-7-9-27-10-8-17;1-5-15-8-16-6-7-20(25(16)23-10-15)19-9-18(17(11-22-19)14(2)3)24-21(4)12-26-13-21;1-4-14-7-16-5-6-20(24(16)22-9-14)19-8-18(23-15-11-25-12-15)17(10-21-19)13(2)3;1-6-15-9-16-7-8-20(24(16)22-11-15)19-10-18(23-14(4)5)17(12-21-19)13(2)3/h1,10-12,14-17,19-20H,6-9,13H2,2-4H3,(H,27,29);1,6-7,12-16H,8-11H2,2-4H3,(H,24,26);1,5-6,11-15,17H,7-10H2,2-3H3,(H,23,25);1,6-11,14H,12-13H2,2-4H3,(H,22,24);1,5-10,13,15H,11-12H2,2-3H3,(H,21,23);1,7-14H,2-5H3,(H,21,23).

What are the key properties of 2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N,5-di(propan-2-yl)pyridin-4-amine;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(4-methyloxan-4-yl)-5-propan-2-ylpyridin-4-amine;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(3-methyloxetan-3-yl)-5-propan-2-ylpyridin-4-amine;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(oxan-4-yl)-5-propan-2-ylpyridin-4-amine;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(oxetan-3-yl)-5-propan-2-ylpyridin-4-amine;methyl 2-[4-[[2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-5-propan-2-yl-4-pyridinyl]amino]cyclohexyl]acetate?

2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N,5-di(propan-2-yl)pyridin-4-amine;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(4-methyloxan-4-yl)-5-propan-2-ylpyridin-4-amine;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(3-methyloxetan-3-yl)-5-propan-2-ylpyridin-4-amine;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(oxan-4-yl)-5-propan-2-ylpyridin-4-amine;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(oxetan-3-yl)-5-propan-2-ylpyridin-4-amine;methyl 2-[4-[[2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-5-propan-2-yl-4-pyridinyl]amino]cyclohexyl]acetate has a molecular weight of 2162.77 g/mol, XLogP of 24.94, 26 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N,5-di(propan-2-yl)pyridin-4-amine;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(4-methyloxan-4-yl)-5-propan-2-ylpyridin-4-amine;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(3-methyloxetan-3-yl)-5-propan-2-ylpyridin-4-amine;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(oxan-4-yl)-5-propan-2-ylpyridin-4-amine;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(oxetan-3-yl)-5-propan-2-ylpyridin-4-amine;methyl 2-[4-[[2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-5-propan-2-yl-4-pyridinyl]amino]cyclohexyl]acetate is sourced from PubChem (CID 159850172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).