6-(4-methoxypiperazin-1-yl)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrimido[5,4-d]pyrimidin-4-amine

C24H24N10O2 — CID 166927752

About 6-(4-methoxypiperazin-1-yl)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrimido[5,4-d]pyrimidin-4-amine

6-(4-methoxypiperazin-1-yl)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrimido[5,4-d]pyrimidin-4-amine (PubChem CID 166927752) has the molecular formula C24H24N10O2 and a molecular weight of 484.52 g/mol. Its IUPAC name is 6-(4-methoxypiperazin-1-yl)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrimido[5,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 6-(4-methoxypiperazin-1-yl)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrimido[5,4-d]pyrimidin-4-amine
• PubChem CID: 166927752
• Molecular Formula: C24H24N10O2
• Molecular Weight: 484.52 g/mol
• Exact Mass: 484.21
• IUPAC Name: 6-(4-methoxypiperazin-1-yl)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrimido[5,4-d]pyrimidin-4-amine
• SMILES: CON1CCN(c2ncc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c3n2)CC1
• InChI: InChI=1S/C24H24N10O2/c1-16-11-17(3-4-20(16)36-18-5-6-34-21(12-18)27-15-29-34)30-23-22-19(26-14-28-23)13-25-24(31-22)32-7-9-33(35-2)10-8-32/h3-6,11-15H,7-10H2,1-2H3,(H,26,28,30)
• InChIKey: LVHYQBAXFAZELL-UHFFFAOYSA-N
• XLogP: 2.99
• TPSA: 118.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.52
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxypiperazin-1-yl)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrimido[5,4-d]pyrimidin-4-amine?

The IUPAC name of 6-(4-methoxypiperazin-1-yl)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrimido[5,4-d]pyrimidin-4-amine (CID 166927752) is 6-(4-methoxypiperazin-1-yl)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrimido[5,4-d]pyrimidin-4-amine.

What is the SMILES notation for 6-(4-methoxypiperazin-1-yl)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrimido[5,4-d]pyrimidin-4-amine?

The canonical SMILES for 6-(4-methoxypiperazin-1-yl)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrimido[5,4-d]pyrimidin-4-amine is CON1CCN(c2ncc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c3n2)CC1.

What is the InChIKey of 6-(4-methoxypiperazin-1-yl)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrimido[5,4-d]pyrimidin-4-amine?

The InChIKey is LVHYQBAXFAZELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N10O2/c1-16-11-17(3-4-20(16)36-18-5-6-34-21(12-18)27-15-29-34)30-23-22-19(26-14-28-23)13-25-24(31-22)32-7-9-33(35-2)10-8-32/h3-6,11-15H,7-10H2,1-2H3,(H,26,28,30).

What are the key properties of 6-(4-methoxypiperazin-1-yl)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrimido[5,4-d]pyrimidin-4-amine?

6-(4-methoxypiperazin-1-yl)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrimido[5,4-d]pyrimidin-4-amine has a molecular weight of 484.52 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-methoxypiperazin-1-yl)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrimido[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 166927752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).