[5,7-diamino-6-cyano-4-[3-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide

C24H21FN8O2 — CID 169379606

About [5,7-diamino-6-cyano-4-[3-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide

[5,7-diamino-6-cyano-4-[3-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide (PubChem CID 169379606) has the molecular formula C24H21FN8O2 and a molecular weight of 472.48 g/mol. Its IUPAC name is [5,7-diamino-6-cyano-4-[3-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide.

Molecular Properties

• Compound Name: [5,7-diamino-6-cyano-4-[3-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
• PubChem CID: 169379606
• Molecular Formula: C24H21FN8O2
• Molecular Weight: 472.48 g/mol
• Exact Mass: 472.18
• IUPAC Name: [5,7-diamino-6-cyano-4-[3-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
• SMILES: CCOc1cc(C2N=C(NC#N)Nc3nc(N)c(C#N)c(N)c32)ccc1OCc1cccc(F)c1
• InChI: InChI=1S/C24H21FN8O2/c1-2-34-18-9-14(6-7-17(18)35-11-13-4-3-5-15(25)8-13)21-19-20(28)16(10-26)22(29)32-23(19)33-24(31-21)30-12-27/h3-9,21H,2,11H2,1H3,(H6,28,29,30,31,32,33)
• InChIKey: UELCTAJWYWWZRF-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 167.39 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.48
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [5,7-diamino-6-cyano-4-[3-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?

The IUPAC name of [5,7-diamino-6-cyano-4-[3-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide (CID 169379606) is [5,7-diamino-6-cyano-4-[3-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide.

What is the SMILES notation for [5,7-diamino-6-cyano-4-[3-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?

The canonical SMILES for [5,7-diamino-6-cyano-4-[3-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide is CCOc1cc(C2N=C(NC#N)Nc3nc(N)c(C#N)c(N)c32)ccc1OCc1cccc(F)c1.

What is the InChIKey of [5,7-diamino-6-cyano-4-[3-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?

The InChIKey is UELCTAJWYWWZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN8O2/c1-2-34-18-9-14(6-7-17(18)35-11-13-4-3-5-15(25)8-13)21-19-20(28)16(10-26)22(29)32-23(19)33-24(31-21)30-12-27/h3-9,21H,2,11H2,1H3,(H6,28,29,30,31,32,33).

What are the key properties of [5,7-diamino-6-cyano-4-[3-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?

[5,7-diamino-6-cyano-4-[3-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide has a molecular weight of 472.48 g/mol, XLogP of 3.18, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [5,7-diamino-6-cyano-4-[3-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide is sourced from PubChem (CID 169379606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).