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

C24H25N10OP — CID 175619077

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

N-[3-methyl-2-phosphanyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-[(2R)-2-methylpiperazin-1-yl]pyrimido[5,4-d]pyrimidin-4-amine (PubChem CID 175619077) has the molecular formula C24H25N10OP and a molecular weight of 500.51 g/mol. Its IUPAC name is N-[3-methyl-2-phosphanyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-[(2R)-2-methylpiperazin-1-yl]pyrimido[5,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-[3-methyl-2-phosphanyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-[(2R)-2-methylpiperazin-1-yl]pyrimido[5,4-d]pyrimidin-4-amine
• PubChem CID: 175619077
• Molecular Formula: C24H25N10OP
• Molecular Weight: 500.51 g/mol
• Exact Mass: 500.20
• IUPAC Name: N-[3-methyl-2-phosphanyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-[(2R)-2-methylpiperazin-1-yl]pyrimido[5,4-d]pyrimidin-4-amine
• SMILES: Cc1c(Oc2ccn3ncnc3c2)ccc(Nc2ncnc3cnc(N4CCNC[C@H]4C)nc23)c1P
• InChI: InChI=1S/C24H25N10OP/c1-14-10-25-6-8-33(14)24-26-11-18-21(32-24)23(29-12-27-18)31-17-3-4-19(15(2)22(17)36)35-16-5-7-34-20(9-16)28-13-30-34/h3-5,7,9,11-14,25H,6,8,10,36H2,1-2H3,(H,27,29,31)/t14-/m1/s1
• InChIKey: WUFYODMJUMYNKI-CQSZACIVSA-N
• XLogP: 2.61
• TPSA: 118.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.51
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N-[3-methyl-2-phosphanyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-[(2R)-2-methylpiperazin-1-yl]pyrimido[5,4-d]pyrimidin-4-amine (CID 175619077) is N-[3-methyl-2-phosphanyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-[(2R)-2-methylpiperazin-1-yl]pyrimido[5,4-d]pyrimidin-4-amine.

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

The canonical SMILES for N-[3-methyl-2-phosphanyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-[(2R)-2-methylpiperazin-1-yl]pyrimido[5,4-d]pyrimidin-4-amine is Cc1c(Oc2ccn3ncnc3c2)ccc(Nc2ncnc3cnc(N4CCNC[C@H]4C)nc23)c1P.

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

The InChIKey is WUFYODMJUMYNKI-CQSZACIVSA-N. The full InChI is InChI=1S/C24H25N10OP/c1-14-10-25-6-8-33(14)24-26-11-18-21(32-24)23(29-12-27-18)31-17-3-4-19(15(2)22(17)36)35-16-5-7-34-20(9-16)28-13-30-34/h3-5,7,9,11-14,25H,6,8,10,36H2,1-2H3,(H,27,29,31)/t14-/m1/s1.

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

N-[3-methyl-2-phosphanyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-[(2R)-2-methylpiperazin-1-yl]pyrimido[5,4-d]pyrimidin-4-amine has a molecular weight of 500.51 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-methyl-2-phosphanyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-[(2R)-2-methylpiperazin-1-yl]pyrimido[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 175619077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).