N-[4-[4-amino-7-methyl-5-[5-[(6-methyl-2-pyridinyl)oxy]pyrazin-2-yl]pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-2-methylprop-2-enamide

C27H24N8O2 — CID 155309820

About N-[4-[4-amino-7-methyl-5-[5-[(6-methyl-2-pyridinyl)oxy]pyrazin-2-yl]pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-2-methylprop-2-enamide

N-[4-[4-amino-7-methyl-5-[5-[(6-methyl-2-pyridinyl)oxy]pyrazin-2-yl]pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-2-methylprop-2-enamide (PubChem CID 155309820) has the molecular formula C27H24N8O2 and a molecular weight of 492.54 g/mol. Its IUPAC name is N-[4-[4-amino-7-methyl-5-[5-[(6-methyl-2-pyridinyl)oxy]pyrazin-2-yl]pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-2-methylprop-2-enamide.

Molecular Properties

• Compound Name: N-[4-[4-amino-7-methyl-5-[5-[(6-methyl-2-pyridinyl)oxy]pyrazin-2-yl]pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-2-methylprop-2-enamide
• PubChem CID: 155309820
• Molecular Formula: C27H24N8O2
• Molecular Weight: 492.54 g/mol
• Exact Mass: 492.20
• IUPAC Name: N-[4-[4-amino-7-methyl-5-[5-[(6-methyl-2-pyridinyl)oxy]pyrazin-2-yl]pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-2-methylprop-2-enamide
• SMILES: C=C(C)C(=O)Nc1ccc(-c2c(-c3cnc(Oc4cccc(C)n4)cn3)c3c(N)ncnc3n2C)cc1
• InChI: InChI=1S/C27H24N8O2/c1-15(2)27(36)34-18-10-8-17(9-11-18)24-22(23-25(28)31-14-32-26(23)35(24)4)19-12-30-21(13-29-19)37-20-7-5-6-16(3)33-20/h5-14H,1H2,2-4H3,(H,34,36)(H2,28,31,32)
• InChIKey: LPFWZWGGCRCWTF-UHFFFAOYSA-N
• XLogP: 4.68
• TPSA: 133.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.54
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

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-[5-[(6-methyl-2-pyridinyl)oxy]pyrazin-2-yl]pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-2-methylprop-2-enamide?

The IUPAC name of N-[4-[4-amino-7-methyl-5-[5-[(6-methyl-2-pyridinyl)oxy]pyrazin-2-yl]pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-2-methylprop-2-enamide (CID 155309820) is N-[4-[4-amino-7-methyl-5-[5-[(6-methyl-2-pyridinyl)oxy]pyrazin-2-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-[5-[(6-methyl-2-pyridinyl)oxy]pyrazin-2-yl]pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-2-methylprop-2-enamide?

The canonical SMILES for N-[4-[4-amino-7-methyl-5-[5-[(6-methyl-2-pyridinyl)oxy]pyrazin-2-yl]pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-2-methylprop-2-enamide is C=C(C)C(=O)Nc1ccc(-c2c(-c3cnc(Oc4cccc(C)n4)cn3)c3c(N)ncnc3n2C)cc1.

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

The InChIKey is LPFWZWGGCRCWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N8O2/c1-15(2)27(36)34-18-10-8-17(9-11-18)24-22(23-25(28)31-14-32-26(23)35(24)4)19-12-30-21(13-29-19)37-20-7-5-6-16(3)33-20/h5-14H,1H2,2-4H3,(H,34,36)(H2,28,31,32).

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

N-[4-[4-amino-7-methyl-5-[5-[(6-methyl-2-pyridinyl)oxy]pyrazin-2-yl]pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-2-methylprop-2-enamide has a molecular weight of 492.54 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-amino-7-methyl-5-[5-[(6-methyl-2-pyridinyl)oxy]pyrazin-2-yl]pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-2-methylprop-2-enamide is sourced from PubChem (CID 155309820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).