N-[4-[4-amino-7-methyl-5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-2-methylprop-2-enamide

C25H25N7O2 — CID 155309470

About N-[4-[4-amino-7-methyl-5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-2-methylprop-2-enamide

N-[4-[4-amino-7-methyl-5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-2-methylprop-2-enamide (PubChem CID 155309470) has the molecular formula C25H25N7O2 and a molecular weight of 455.52 g/mol. Its IUPAC name is N-[4-[4-amino-7-methyl-5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-2-methylprop-2-enamide.

Molecular Properties

• Compound Name: N-[4-[4-amino-7-methyl-5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-2-methylprop-2-enamide
• PubChem CID: 155309470
• Molecular Formula: C25H25N7O2
• Molecular Weight: 455.52 g/mol
• Exact Mass: 455.21
• IUPAC Name: N-[4-[4-amino-7-methyl-5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-2-methylprop-2-enamide
• SMILES: C=C(C)C(=O)Nc1ccc(-c2c(-c3cnc4c(c3)OCCN4C)c3c(N)ncnc3n2C)cc1
• InChI: InChI=1S/C25H25N7O2/c1-14(2)25(33)30-17-7-5-15(6-8-17)21-19(20-22(26)28-13-29-24(20)32(21)4)16-11-18-23(27-12-16)31(3)9-10-34-18/h5-8,11-13H,1,9-10H2,2-4H3,(H,30,33)(H2,26,28,29)
• InChIKey: RJAJZYYTXGGMPW-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 111.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.52
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-amino-7-methyl-5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-2-methylprop-2-enamide?

The IUPAC name of N-[4-[4-amino-7-methyl-5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-2-methylprop-2-enamide (CID 155309470) is N-[4-[4-amino-7-methyl-5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-2-methylprop-2-enamide.

What is the SMILES notation for N-[4-[4-amino-7-methyl-5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-2-methylprop-2-enamide?

The canonical SMILES for N-[4-[4-amino-7-methyl-5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-2-methylprop-2-enamide is C=C(C)C(=O)Nc1ccc(-c2c(-c3cnc4c(c3)OCCN4C)c3c(N)ncnc3n2C)cc1.

What is the InChIKey of N-[4-[4-amino-7-methyl-5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-2-methylprop-2-enamide?

The InChIKey is RJAJZYYTXGGMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O2/c1-14(2)25(33)30-17-7-5-15(6-8-17)21-19(20-22(26)28-13-29-24(20)32(21)4)16-11-18-23(27-12-16)31(3)9-10-34-18/h5-8,11-13H,1,9-10H2,2-4H3,(H,30,33)(H2,26,28,29).

What are the key properties of N-[4-[4-amino-7-methyl-5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-2-methylprop-2-enamide?

N-[4-[4-amino-7-methyl-5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-2-methylprop-2-enamide has a molecular weight of 455.52 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-amino-7-methyl-5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-2-methylprop-2-enamide is sourced from PubChem (CID 155309470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).