N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrimido[5,4-d]pyrimidin-4-amine

C24H21N9O2 — CID 166928146

About N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrimido[5,4-d]pyrimidin-4-amine

N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrimido[5,4-d]pyrimidin-4-amine (PubChem CID 166928146) has the molecular formula C24H21N9O2 and a molecular weight of 467.49 g/mol. Its IUPAC name is N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrimido[5,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrimido[5,4-d]pyrimidin-4-amine
• PubChem CID: 166928146
• Molecular Formula: C24H21N9O2
• Molecular Weight: 467.49 g/mol
• Exact Mass: 467.18
• IUPAC Name: N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrimido[5,4-d]pyrimidin-4-amine
• SMILES: Cc1cc(Nc2ncnc3cnc(N4CC5CC(C4)O5)nc23)ccc1Oc1ccn2ncnc2c1
• InChI: InChI=1S/C24H21N9O2/c1-14-6-15(2-3-20(14)35-16-4-5-33-21(8-16)27-13-29-33)30-23-22-19(26-12-28-23)9-25-24(31-22)32-10-17-7-18(11-32)34-17/h2-6,8-9,12-13,17-18H,7,10-11H2,1H3,(H,26,28,30)
• InChIKey: BRHGBHLDZINZHV-UHFFFAOYSA-N
• XLogP: 3.28
• TPSA: 115.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.49
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrimido[5,4-d]pyrimidin-4-amine?

The IUPAC name of N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrimido[5,4-d]pyrimidin-4-amine (CID 166928146) is N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrimido[5,4-d]pyrimidin-4-amine.

What is the SMILES notation for N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrimido[5,4-d]pyrimidin-4-amine?

The canonical SMILES for N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrimido[5,4-d]pyrimidin-4-amine is Cc1cc(Nc2ncnc3cnc(N4CC5CC(C4)O5)nc23)ccc1Oc1ccn2ncnc2c1.

What is the InChIKey of N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrimido[5,4-d]pyrimidin-4-amine?

The InChIKey is BRHGBHLDZINZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N9O2/c1-14-6-15(2-3-20(14)35-16-4-5-33-21(8-16)27-13-29-33)30-23-22-19(26-12-28-23)9-25-24(31-22)32-10-17-7-18(11-32)34-17/h2-6,8-9,12-13,17-18H,7,10-11H2,1H3,(H,26,28,30).

What are the key properties of N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrimido[5,4-d]pyrimidin-4-amine?

N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrimido[5,4-d]pyrimidin-4-amine has a molecular weight of 467.49 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrimido[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 166928146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).