N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-(6-oxa-1-azaspiro[3.3]heptan-1-yl)pyrimido[5,4-d]pyrimidin-4-amine

C24H21N9O2 — CID 167318909

About N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-(6-oxa-1-azaspiro[3.3]heptan-1-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-1-azaspiro[3.3]heptan-1-yl)pyrimido[5,4-d]pyrimidin-4-amine (PubChem CID 167318909) 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-1-azaspiro[3.3]heptan-1-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-1-azaspiro[3.3]heptan-1-yl)pyrimido[5,4-d]pyrimidin-4-amine
• PubChem CID: 167318909
• 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-1-azaspiro[3.3]heptan-1-yl)pyrimido[5,4-d]pyrimidin-4-amine
• SMILES: Cc1cc(Nc2ncnc3cnc(N4CCC45COC5)nc23)ccc1Oc1ccn2ncnc2c1
• InChI: InChI=1S/C24H21N9O2/c1-15-8-16(2-3-19(15)35-17-4-6-33-20(9-17)27-14-29-33)30-22-21-18(26-13-28-22)10-25-23(31-21)32-7-5-24(32)11-34-12-24/h2-4,6,8-10,13-14H,5,7,11-12H2,1H3,(H,26,28,30)
• InChIKey: NTCPFQSOLZMPCN-UHFFFAOYSA-N
• XLogP: 3.29
• 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	3.29
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-1-azaspiro[3.3]heptan-1-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-1-azaspiro[3.3]heptan-1-yl)pyrimido[5,4-d]pyrimidin-4-amine (CID 167318909) is N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-(6-oxa-1-azaspiro[3.3]heptan-1-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-1-azaspiro[3.3]heptan-1-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-1-azaspiro[3.3]heptan-1-yl)pyrimido[5,4-d]pyrimidin-4-amine is Cc1cc(Nc2ncnc3cnc(N4CCC45COC5)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-1-azaspiro[3.3]heptan-1-yl)pyrimido[5,4-d]pyrimidin-4-amine?

The InChIKey is NTCPFQSOLZMPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N9O2/c1-15-8-16(2-3-19(15)35-17-4-6-33-20(9-17)27-14-29-33)30-22-21-18(26-13-28-22)10-25-23(31-21)32-7-5-24(32)11-34-12-24/h2-4,6,8-10,13-14H,5,7,11-12H2,1H3,(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-1-azaspiro[3.3]heptan-1-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-1-azaspiro[3.3]heptan-1-yl)pyrimido[5,4-d]pyrimidin-4-amine has a molecular weight of 467.49 g/mol, XLogP of 3.29, 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-1-azaspiro[3.3]heptan-1-yl)pyrimido[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 167318909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).