4-amino-2-[8-[(E)-4-chloro-2-methylidenepent-3-enyl]imidazo[1,2-a]pyrazin-6-yl]-5-(4-chlorophenyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one

C25H21Cl2N7O — CID 144972723

About 4-amino-2-[8-[(E)-4-chloro-2-methylidenepent-3-enyl]imidazo[1,2-a]pyrazin-6-yl]-5-(4-chlorophenyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one

4-amino-2-[8-[(E)-4-chloro-2-methylidenepent-3-enyl]imidazo[1,2-a]pyrazin-6-yl]-5-(4-chlorophenyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 144972723) has the molecular formula C25H21Cl2N7O and a molecular weight of 506.40 g/mol. Its IUPAC name is 4-amino-2-[8-[(E)-4-chloro-2-methylidenepent-3-enyl]imidazo[1,2-a]pyrazin-6-yl]-5-(4-chlorophenyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

• Compound Name: 4-amino-2-[8-[(E)-4-chloro-2-methylidenepent-3-enyl]imidazo[1,2-a]pyrazin-6-yl]-5-(4-chlorophenyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
• PubChem CID: 144972723
• Molecular Formula: C25H21Cl2N7O
• Molecular Weight: 506.40 g/mol
• Exact Mass: 505.12
• IUPAC Name: 4-amino-2-[8-[(E)-4-chloro-2-methylidenepent-3-enyl]imidazo[1,2-a]pyrazin-6-yl]-5-(4-chlorophenyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
• SMILES: C=C(/C=C(\C)Cl)Cc1nc(-c2nc(N)c3c(n2)NC(=O)C3(C)c2ccc(Cl)cc2)cn2ccnc12
• InChI: InChI=1S/C25H21Cl2N7O/c1-13(10-14(2)26)11-17-23-29-8-9-34(23)12-18(30-17)21-31-20(28)19-22(32-21)33-24(35)25(19,3)15-4-6-16(27)7-5-15/h4-10,12H,1,11H2,2-3H3,(H3,28,31,32,33,35)/b14-10+
• InChIKey: ILZKMLXQWDDYOK-GXDHUFHOSA-N
• XLogP: 4.92
• TPSA: 111.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.40
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[8-[(E)-4-chloro-2-methylidenepent-3-enyl]imidazo[1,2-a]pyrazin-6-yl]-5-(4-chlorophenyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one?

The IUPAC name of 4-amino-2-[8-[(E)-4-chloro-2-methylidenepent-3-enyl]imidazo[1,2-a]pyrazin-6-yl]-5-(4-chlorophenyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one (CID 144972723) is 4-amino-2-[8-[(E)-4-chloro-2-methylidenepent-3-enyl]imidazo[1,2-a]pyrazin-6-yl]-5-(4-chlorophenyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one.

What is the SMILES notation for 4-amino-2-[8-[(E)-4-chloro-2-methylidenepent-3-enyl]imidazo[1,2-a]pyrazin-6-yl]-5-(4-chlorophenyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one?

The canonical SMILES for 4-amino-2-[8-[(E)-4-chloro-2-methylidenepent-3-enyl]imidazo[1,2-a]pyrazin-6-yl]-5-(4-chlorophenyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one is C=C(/C=C(\C)Cl)Cc1nc(-c2nc(N)c3c(n2)NC(=O)C3(C)c2ccc(Cl)cc2)cn2ccnc12.

What is the InChIKey of 4-amino-2-[8-[(E)-4-chloro-2-methylidenepent-3-enyl]imidazo[1,2-a]pyrazin-6-yl]-5-(4-chlorophenyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one?

The InChIKey is ILZKMLXQWDDYOK-GXDHUFHOSA-N. The full InChI is InChI=1S/C25H21Cl2N7O/c1-13(10-14(2)26)11-17-23-29-8-9-34(23)12-18(30-17)21-31-20(28)19-22(32-21)33-24(35)25(19,3)15-4-6-16(27)7-5-15/h4-10,12H,1,11H2,2-3H3,(H3,28,31,32,33,35)/b14-10+.

What are the key properties of 4-amino-2-[8-[(E)-4-chloro-2-methylidenepent-3-enyl]imidazo[1,2-a]pyrazin-6-yl]-5-(4-chlorophenyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one?

4-amino-2-[8-[(E)-4-chloro-2-methylidenepent-3-enyl]imidazo[1,2-a]pyrazin-6-yl]-5-(4-chlorophenyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 506.40 g/mol, XLogP of 4.92, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-2-[8-[(E)-4-chloro-2-methylidenepent-3-enyl]imidazo[1,2-a]pyrazin-6-yl]-5-(4-chlorophenyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 144972723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).