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

C22H17F4N7O — CID 118566994

IUPAC4-amino-2-[8-[(3-fluorophenyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCC1(C)C(=O)Nc2nc(-c3cn4cc(C(F)(F)F)nc4c(Cc4cccc(F)c4)n3)nc(N)c21
InChIInChI=1S/C22H17F4N7O/c1-21(2)15-16(27)30-17(31-18(15)32-20(21)34)13-8-33-9-14(22(24,25)26)29-19(33)12(28-13)7-10-4-3-5-11(23)6-10/h3-6,8-9H,7H2,1-2H3,(H3,27,30,31,32,34)
InChIKeyJVZOUOHLDSDNGB-UHFFFAOYSA-N
MW471.42 g/mol
LogP3.75
Rot. Bonds3

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

4-amino-2-[8-[(3-fluorophenyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 118566994) has the molecular formula C22H17F4N7O and a molecular weight of 471.42 g/mol. Its IUPAC name is 4-amino-2-[8-[(3-fluorophenyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-[8-[(3-fluorophenyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID118566994
Molecular FormulaC22H17F4N7O
Molecular Weight471.42 g/mol
Exact Mass471.14
IUPAC Name4-amino-2-[8-[(3-fluorophenyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCC1(C)C(=O)Nc2nc(-c3cn4cc(C(F)(F)F)nc4c(Cc4cccc(F)c4)n3)nc(N)c21
InChIInChI=1S/C22H17F4N7O/c1-21(2)15-16(27)30-17(31-18(15)32-20(21)34)13-8-33-9-14(22(24,25)26)29-19(33)12(28-13)7-10-4-3-5-11(23)6-10/h3-6,8-9H,7H2,1-2H3,(H3,27,30,31,32,34)
InChIKeyJVZOUOHLDSDNGB-UHFFFAOYSA-N
XLogP3.75
TPSA111.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.42
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[8-[(3-fluorophenyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 4-amino-2-[8-[(3-fluorophenyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one (CID 118566994) is 4-amino-2-[8-[(3-fluorophenyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-[8-[(3-fluorophenyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 4-amino-2-[8-[(3-fluorophenyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one is CC1(C)C(=O)Nc2nc(-c3cn4cc(C(F)(F)F)nc4c(Cc4cccc(F)c4)n3)nc(N)c21.
What is the InChIKey of 4-amino-2-[8-[(3-fluorophenyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is JVZOUOHLDSDNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F4N7O/c1-21(2)15-16(27)30-17(31-18(15)32-20(21)34)13-8-33-9-14(22(24,25)26)29-19(33)12(28-13)7-10-4-3-5-11(23)6-10/h3-6,8-9H,7H2,1-2H3,(H3,27,30,31,32,34).
What are the key properties of 4-amino-2-[8-[(3-fluorophenyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one?
4-amino-2-[8-[(3-fluorophenyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 471.42 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[8-[(3-fluorophenyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 118566994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).