4-amino-5-(4-fluorophenyl)-5-methyl-2-[8-(3-phenylpropyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one

C28H24FN7O — CID 118566922

About 4-amino-5-(4-fluorophenyl)-5-methyl-2-[8-(3-phenylpropyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one

4-amino-5-(4-fluorophenyl)-5-methyl-2-[8-(3-phenylpropyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 118566922) has the molecular formula C28H24FN7O and a molecular weight of 493.55 g/mol. Its IUPAC name is 4-amino-5-(4-fluorophenyl)-5-methyl-2-[8-(3-phenylpropyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

• Compound Name: 4-amino-5-(4-fluorophenyl)-5-methyl-2-[8-(3-phenylpropyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one
• PubChem CID: 118566922
• Molecular Formula: C28H24FN7O
• Molecular Weight: 493.55 g/mol
• Exact Mass: 493.20
• IUPAC Name: 4-amino-5-(4-fluorophenyl)-5-methyl-2-[8-(3-phenylpropyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one
• SMILES: CC1(c2ccc(F)cc2)C(=O)Nc2nc(-c3cn4ccnc4c(CCCc4ccccc4)n3)nc(N)c21
• InChI: InChI=1S/C28H24FN7O/c1-28(18-10-12-19(29)13-11-18)22-23(30)33-24(34-25(22)35-27(28)37)21-16-36-15-14-31-26(36)20(32-21)9-5-8-17-6-3-2-4-7-17/h2-4,6-7,10-16H,5,8-9H2,1H3,(H3,30,33,34,35,37)
• InChIKey: PEJVSSPEPWPMIV-UHFFFAOYSA-N
• XLogP: 4.34
• TPSA: 111.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.55
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4-amino-5-(4-fluorophenyl)-5-methyl-2-[8-(3-phenylpropyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one (CID 118566922) is 4-amino-5-(4-fluorophenyl)-5-methyl-2-[8-(3-phenylpropyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one.

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

The canonical SMILES for 4-amino-5-(4-fluorophenyl)-5-methyl-2-[8-(3-phenylpropyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one is CC1(c2ccc(F)cc2)C(=O)Nc2nc(-c3cn4ccnc4c(CCCc4ccccc4)n3)nc(N)c21.

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

The InChIKey is PEJVSSPEPWPMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN7O/c1-28(18-10-12-19(29)13-11-18)22-23(30)33-24(34-25(22)35-27(28)37)21-16-36-15-14-31-26(36)20(32-21)9-5-8-17-6-3-2-4-7-17/h2-4,6-7,10-16H,5,8-9H2,1H3,(H3,30,33,34,35,37).

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

4-amino-5-(4-fluorophenyl)-5-methyl-2-[8-(3-phenylpropyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 493.55 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-5-(4-fluorophenyl)-5-methyl-2-[8-(3-phenylpropyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 118566922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).