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

C26H19F2N7O2 — CID 145404344

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

(5S)-4-amino-5-(4-fluoro-3-hydroxyphenyl)-2-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 145404344) has the molecular formula C26H19F2N7O2 and a molecular weight of 499.48 g/mol. Its IUPAC name is (5S)-4-amino-5-(4-fluoro-3-hydroxyphenyl)-2-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

• Compound Name: (5S)-4-amino-5-(4-fluoro-3-hydroxyphenyl)-2-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
• PubChem CID: 145404344
• Molecular Formula: C26H19F2N7O2
• Molecular Weight: 499.48 g/mol
• Exact Mass: 499.16
• IUPAC Name: (5S)-4-amino-5-(4-fluoro-3-hydroxyphenyl)-2-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
• SMILES: C[C@@]1(c2ccc(F)c(O)c2)C(=O)Nc2nc(-c3cn4ccnc4c(Cc4ccccc4F)n3)nc(N)c21
• InChI: InChI=1S/C26H19F2N7O2/c1-26(14-6-7-16(28)19(36)11-14)20-21(29)32-22(33-23(20)34-25(26)37)18-12-35-9-8-30-24(35)17(31-18)10-13-4-2-3-5-15(13)27/h2-9,11-12,36H,10H2,1H3,(H3,29,32,33,34,37)/t26-/m0/s1
• InChIKey: FMHZHZLNBJXQEU-SANMLTNESA-N
• XLogP: 3.60
• TPSA: 131.32 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.48
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of (5S)-4-amino-5-(4-fluoro-3-hydroxyphenyl)-2-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one (CID 145404344) is (5S)-4-amino-5-(4-fluoro-3-hydroxyphenyl)-2-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one.

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

The canonical SMILES for (5S)-4-amino-5-(4-fluoro-3-hydroxyphenyl)-2-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one is C[C@@]1(c2ccc(F)c(O)c2)C(=O)Nc2nc(-c3cn4ccnc4c(Cc4ccccc4F)n3)nc(N)c21.

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

The InChIKey is FMHZHZLNBJXQEU-SANMLTNESA-N. The full InChI is InChI=1S/C26H19F2N7O2/c1-26(14-6-7-16(28)19(36)11-14)20-21(29)32-22(33-23(20)34-25(26)37)18-12-35-9-8-30-24(35)17(31-18)10-13-4-2-3-5-15(13)27/h2-9,11-12,36H,10H2,1H3,(H3,29,32,33,34,37)/t26-/m0/s1.

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

(5S)-4-amino-5-(4-fluoro-3-hydroxyphenyl)-2-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 499.48 g/mol, XLogP of 3.60, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-4-amino-5-(4-fluoro-3-hydroxyphenyl)-2-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 145404344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).