1-[3-(dimethylamino)propyl]-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidin-5-amine;bis(1-(2,2-dimethyloxan-4-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine);1-(2-methoxyethyl)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidin-5-amine;bis(3-methyl-1-(3-methyloxan-4-yl)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine)

C120H145N49O7 — CID 167601711

About 1-[3-(dimethylamino)propyl]-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidin-5-amine;bis(1-(2,2-dimethyloxan-4-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine);1-(2-methoxyethyl)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidin-5-amine;bis(3-methyl-1-(3-methyloxan-4-yl)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine)

1-[3-(dimethylamino)propyl]-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidin-5-amine;bis(1-(2,2-dimethyloxan-4-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine);1-(2-methoxyethyl)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidin-5-amine;bis(3-methyl-1-(3-methyloxan-4-yl)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine) (PubChem CID 167601711) has the molecular formula C120H145N49O7 and a molecular weight of 2385.82 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidin-5-amine;bis(1-(2,2-dimethyloxan-4-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine);1-(2-methoxyethyl)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidin-5-amine;bis(3-methyl-1-(3-methyloxan-4-yl)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine).

Molecular Properties

• Compound Name: 1-[3-(dimethylamino)propyl]-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidin-5-amine;bis(1-(2,2-dimethyloxan-4-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine);1-(2-methoxyethyl)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidin-5-amine;bis(3-methyl-1-(3-methyloxan-4-yl)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine)
• PubChem CID: 167601711
• Molecular Formula: C120H145N49O7
• Molecular Weight: 2385.82 g/mol
• Exact Mass: 2384.25
• IUPAC Name: 1-[3-(dimethylamino)propyl]-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidin-5-amine;bis(1-(2,2-dimethyloxan-4-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine);1-(2-methoxyethyl)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidin-5-amine;bis(3-methyl-1-(3-methyloxan-4-yl)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine)
• SMILES: COCCn1nc(C2CCOCC2)c2nc(Nc3cn4ncnc4cc3C)ncc21.Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(C3CCOC(C)(C)C3)c2n1.Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(C3CCOC(C)(C)C3)c2n1.Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(C3CCOCC3C)c2n1.Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(C3CCOCC3C)c2n1.Cc1cc2ncnn2cc1Nc1ncc2c(n1)c(C1CCOCC1)nn2CCCN(C)C
• InChI: InChI=1S/C22H29N9O.C20H24N8O2.2C20H24N8O.2C19H22N8O/c1-15-11-19-24-14-25-31(19)13-17(15)26-22-23-12-18-21(27-22)20(16-5-9-32-10-6-16)28-30(18)8-4-7-29(2)3;1-13-9-17-22-12-23-28(17)11-15(13)24-20-21-10-16-19(25-20)18(14-3-6-30-7-4-14)26-27(16)5-8-29-2;2*1-12-7-17-22-11-23-27(17)10-16(12)24-19-21-9-15-13(2)26-28(18(15)25-19)14-5-6-29-20(3,4)8-14;2*1-11-6-17-21-10-22-26(17)8-15(11)23-19-20-7-14-13(3)25-27(18(14)24-19)16-4-5-28-9-12(16)2/h11-14,16H,4-10H2,1-3H3,(H,23,26,27);9-12,14H,3-8H2,1-2H3,(H,21,24,25);2*7,9-11,14H,5-6,8H2,1-4H3,(H,21,24,25);2*6-8,10,12,16H,4-5,9H2,1-3H3,(H,20,23,24)
• InChIKey: JVCGFJZHMUVPLK-UHFFFAOYSA-N
• XLogP: 17.60
• TPSA: 582.77 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 56
• Rotatable Bonds: 25
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2385.82
LogP ≤ 5	17.60
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	56

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidin-5-amine;bis(1-(2,2-dimethyloxan-4-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine);1-(2-methoxyethyl)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidin-5-amine;bis(3-methyl-1-(3-methyloxan-4-yl)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine)?

The IUPAC name of 1-[3-(dimethylamino)propyl]-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidin-5-amine;bis(1-(2,2-dimethyloxan-4-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine);1-(2-methoxyethyl)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidin-5-amine;bis(3-methyl-1-(3-methyloxan-4-yl)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine) (CID 167601711) is 1-[3-(dimethylamino)propyl]-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidin-5-amine;bis(1-(2,2-dimethyloxan-4-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine);1-(2-methoxyethyl)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidin-5-amine;bis(3-methyl-1-(3-methyloxan-4-yl)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine).

What is the SMILES notation for 1-[3-(dimethylamino)propyl]-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidin-5-amine;bis(1-(2,2-dimethyloxan-4-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine);1-(2-methoxyethyl)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidin-5-amine;bis(3-methyl-1-(3-methyloxan-4-yl)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine)?

The canonical SMILES for 1-[3-(dimethylamino)propyl]-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidin-5-amine;bis(1-(2,2-dimethyloxan-4-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine);1-(2-methoxyethyl)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidin-5-amine;bis(3-methyl-1-(3-methyloxan-4-yl)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine) is COCCn1nc(C2CCOCC2)c2nc(Nc3cn4ncnc4cc3C)ncc21.Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(C3CCOC(C)(C)C3)c2n1.Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(C3CCOC(C)(C)C3)c2n1.Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(C3CCOCC3C)c2n1.Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(C3CCOCC3C)c2n1.Cc1cc2ncnn2cc1Nc1ncc2c(n1)c(C1CCOCC1)nn2CCCN(C)C.

What is the InChIKey of 1-[3-(dimethylamino)propyl]-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidin-5-amine;bis(1-(2,2-dimethyloxan-4-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine);1-(2-methoxyethyl)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidin-5-amine;bis(3-methyl-1-(3-methyloxan-4-yl)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine)?

The InChIKey is JVCGFJZHMUVPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N9O.C20H24N8O2.2C20H24N8O.2C19H22N8O/c1-15-11-19-24-14-25-31(19)13-17(15)26-22-23-12-18-21(27-22)20(16-5-9-32-10-6-16)28-30(18)8-4-7-29(2)3;1-13-9-17-22-12-23-28(17)11-15(13)24-20-21-10-16-19(25-20)18(14-3-6-30-7-4-14)26-27(16)5-8-29-2;2*1-12-7-17-22-11-23-27(17)10-16(12)24-19-21-9-15-13(2)26-28(18(15)25-19)14-5-6-29-20(3,4)8-14;2*1-11-6-17-21-10-22-26(17)8-15(11)23-19-20-7-14-13(3)25-27(18(14)24-19)16-4-5-28-9-12(16)2/h11-14,16H,4-10H2,1-3H3,(H,23,26,27);9-12,14H,3-8H2,1-2H3,(H,21,24,25);2*7,9-11,14H,5-6,8H2,1-4H3,(H,21,24,25);2*6-8,10,12,16H,4-5,9H2,1-3H3,(H,20,23,24).

What are the key properties of 1-[3-(dimethylamino)propyl]-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidin-5-amine;bis(1-(2,2-dimethyloxan-4-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine);1-(2-methoxyethyl)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidin-5-amine;bis(3-methyl-1-(3-methyloxan-4-yl)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine)?

1-[3-(dimethylamino)propyl]-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidin-5-amine;bis(1-(2,2-dimethyloxan-4-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine);1-(2-methoxyethyl)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidin-5-amine;bis(3-methyl-1-(3-methyloxan-4-yl)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine) has a molecular weight of 2385.82 g/mol, XLogP of 17.60, 25 rotatable bonds, 6 hydrogen bond donors, and 56 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(dimethylamino)propyl]-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidin-5-amine;bis(1-(2,2-dimethyloxan-4-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine);1-(2-methoxyethyl)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidin-5-amine;bis(3-methyl-1-(3-methyloxan-4-yl)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine) is sourced from PubChem (CID 167601711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).