3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1-methylpyrazol-3-yl)-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-2-amine;cyclohexyl 3-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]pyrazole-1-carboxylate;cyclohexyl 5-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]pyrazole-1-carboxylate

C64H67N27O6S — CID 87151569

About 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1-methylpyrazol-3-yl)-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-2-amine;cyclohexyl 3-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]pyrazole-1-carboxylate;cyclohexyl 5-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]pyrazole-1-carboxylate

3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1-methylpyrazol-3-yl)-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-2-amine;cyclohexyl 3-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]pyrazole-1-carboxylate;cyclohexyl 5-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]pyrazole-1-carboxylate (PubChem CID 87151569) has the molecular formula C64H67N27O6S and a molecular weight of 1342.49 g/mol. Its IUPAC name is 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1-methylpyrazol-3-yl)-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-2-amine;cyclohexyl 3-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]pyrazole-1-carboxylate;cyclohexyl 5-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]pyrazole-1-carboxylate.

Molecular Properties

• Compound Name: 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1-methylpyrazol-3-yl)-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-2-amine;cyclohexyl 3-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]pyrazole-1-carboxylate;cyclohexyl 5-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]pyrazole-1-carboxylate
• PubChem CID: 87151569
• Molecular Formula: C64H67N27O6S
• Molecular Weight: 1342.49 g/mol
• Exact Mass: 1341.55
• IUPAC Name: 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1-methylpyrazol-3-yl)-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-2-amine;cyclohexyl 3-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]pyrazole-1-carboxylate;cyclohexyl 5-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]pyrazole-1-carboxylate
• SMILES: Cc1nc(N)cc(-c2c(Nc3ccn(C(=O)OC4CCCCC4)n3)nc3cccnn23)n1.Cc1nc(N)cc(-c2c(Nc3ccnn3C(=O)OC3CCCCC3)nc3cccnn23)n1.Cc1nc(N)nc(-c2c(Nc3ccn(C)n3)nc3ccc(-c4ccc(S(C)(=O)=O)cc4)cn23)n1
• InChI: InChI=1S/C22H21N9O2S.2C21H23N9O2/c1-13-24-20(28-22(23)25-13)19-21(26-17-10-11-30(2)29-17)27-18-9-6-15(12-31(18)19)14-4-7-16(8-5-14)34(3,32)33;1-13-24-15(12-16(22)25-13)19-20(27-18-8-5-10-23-30(18)19)26-17-9-11-29(28-17)21(31)32-14-6-3-2-4-7-14;1-13-25-15(12-16(22)26-13)19-20(27-17-8-5-10-23-29(17)19)28-18-9-11-24-30(18)21(31)32-14-6-3-2-4-7-14/h4-12H,1-3H3,(H,26,29)(H2,23,24,25,28);5,8-12,14H,2-4,6-7H2,1H3,(H,26,28)(H2,22,24,25);5,8-12,14,28H,2-4,6-7H2,1H3,(H2,22,25,26)
• InChIKey: CAXGAEGHGBNKGV-UHFFFAOYSA-N
• XLogP: 9.29
• TPSA: 422.26 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 33
• Rotatable Bonds: 13
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1342.49
LogP ≤ 5	9.29
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1-methylpyrazol-3-yl)-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-2-amine;cyclohexyl 3-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]pyrazole-1-carboxylate;cyclohexyl 5-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]pyrazole-1-carboxylate?

The IUPAC name of 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1-methylpyrazol-3-yl)-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-2-amine;cyclohexyl 3-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]pyrazole-1-carboxylate;cyclohexyl 5-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]pyrazole-1-carboxylate (CID 87151569) is 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1-methylpyrazol-3-yl)-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-2-amine;cyclohexyl 3-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]pyrazole-1-carboxylate;cyclohexyl 5-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]pyrazole-1-carboxylate.

What is the SMILES notation for 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1-methylpyrazol-3-yl)-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-2-amine;cyclohexyl 3-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]pyrazole-1-carboxylate;cyclohexyl 5-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]pyrazole-1-carboxylate?

The canonical SMILES for 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1-methylpyrazol-3-yl)-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-2-amine;cyclohexyl 3-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]pyrazole-1-carboxylate;cyclohexyl 5-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]pyrazole-1-carboxylate is Cc1nc(N)cc(-c2c(Nc3ccn(C(=O)OC4CCCCC4)n3)nc3cccnn23)n1.Cc1nc(N)cc(-c2c(Nc3ccnn3C(=O)OC3CCCCC3)nc3cccnn23)n1.Cc1nc(N)nc(-c2c(Nc3ccn(C)n3)nc3ccc(-c4ccc(S(C)(=O)=O)cc4)cn23)n1.

What is the InChIKey of 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1-methylpyrazol-3-yl)-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-2-amine;cyclohexyl 3-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]pyrazole-1-carboxylate;cyclohexyl 5-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]pyrazole-1-carboxylate?

The InChIKey is CAXGAEGHGBNKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N9O2S.2C21H23N9O2/c1-13-24-20(28-22(23)25-13)19-21(26-17-10-11-30(2)29-17)27-18-9-6-15(12-31(18)19)14-4-7-16(8-5-14)34(3,32)33;1-13-24-15(12-16(22)25-13)19-20(27-18-8-5-10-23-30(18)19)26-17-9-11-29(28-17)21(31)32-14-6-3-2-4-7-14;1-13-25-15(12-16(22)26-13)19-20(27-17-8-5-10-23-29(17)19)28-18-9-11-24-30(18)21(31)32-14-6-3-2-4-7-14/h4-12H,1-3H3,(H,26,29)(H2,23,24,25,28);5,8-12,14H,2-4,6-7H2,1H3,(H,26,28)(H2,22,24,25);5,8-12,14,28H,2-4,6-7H2,1H3,(H2,22,25,26).

What are the key properties of 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1-methylpyrazol-3-yl)-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-2-amine;cyclohexyl 3-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]pyrazole-1-carboxylate;cyclohexyl 5-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]pyrazole-1-carboxylate?

3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1-methylpyrazol-3-yl)-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-2-amine;cyclohexyl 3-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]pyrazole-1-carboxylate;cyclohexyl 5-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]pyrazole-1-carboxylate has a molecular weight of 1342.49 g/mol, XLogP of 9.29, 13 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1-methylpyrazol-3-yl)-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-2-amine;cyclohexyl 3-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]pyrazole-1-carboxylate;cyclohexyl 5-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]pyrazole-1-carboxylate is sourced from PubChem (CID 87151569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).