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

C22H21FN8O — CID 118567182

IUPAC4-amino-5-(5-fluoro-2-pyridinyl)-5-methyl-2-[8-(2-methylpropyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCC(C)Cc1nc(-c2nc(N)c3c(n2)NC(=O)C3(C)c2ccc(F)cn2)cn2ccnc12
InChIInChI=1S/C22H21FN8O/c1-11(2)8-13-20-25-6-7-31(20)10-14(27-13)18-28-17(24)16-19(29-18)30-21(32)22(16,3)15-5-4-12(23)9-26-15/h4-7,9-11H,8H2,1-3H3,(H3,24,28,29,30,32)
InChIKeyIZJAUPBRTKGUOA-UHFFFAOYSA-N
MW432.46 g/mol
LogP2.76
Rot. Bonds4

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

4-amino-5-(5-fluoro-2-pyridinyl)-5-methyl-2-[8-(2-methylpropyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 118567182) has the molecular formula C22H21FN8O and a molecular weight of 432.46 g/mol. Its IUPAC name is 4-amino-5-(5-fluoro-2-pyridinyl)-5-methyl-2-[8-(2-methylpropyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-5-(5-fluoro-2-pyridinyl)-5-methyl-2-[8-(2-methylpropyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID118567182
Molecular FormulaC22H21FN8O
Molecular Weight432.46 g/mol
Exact Mass432.18
IUPAC Name4-amino-5-(5-fluoro-2-pyridinyl)-5-methyl-2-[8-(2-methylpropyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCC(C)Cc1nc(-c2nc(N)c3c(n2)NC(=O)C3(C)c2ccc(F)cn2)cn2ccnc12
InChIInChI=1S/C22H21FN8O/c1-11(2)8-13-20-25-6-7-31(20)10-14(27-13)18-28-17(24)16-19(29-18)30-21(32)22(16,3)15-5-4-12(23)9-26-15/h4-7,9-11H,8H2,1-3H3,(H3,24,28,29,30,32)
InChIKeyIZJAUPBRTKGUOA-UHFFFAOYSA-N
XLogP2.76
TPSA123.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-amino-2-[8-(cyclobutylmethyl)imidazo[1,2-a]pyrazin-6-yl]-5-(4-fluorophenyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 118567192
4-cyclopropyl-5-(5-fluoro-2-pyridinyl)-5-methyl-2-[8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 135204109
4-amino-5-(4-fluorophenyl)-5-methyl-2-[8-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 121348348
4-amino-5-(4-fluorophenyl)-2-[8-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 118566965
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
4-amino-2-(8-butyl-3-methylimidazo[1,2-a]pyrazin-6-yl)-5-(5-fluoro-2-pyridinyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 129021861
4-amino-5-methyl-2-[8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazin-6-yl]-5-(6-propan-2-yl-3-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 118567054
4-amino-5-(4-fluorophenyl)-5-methyl-2-(8-pentan-2-yloxyimidazo[1,2-a]pyrazin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 134539078
4-amino-5-(4-fluorophenyl)-2-[8-[1-(3-fluorophenyl)ethyl]imidazo[1,2-a]pyrazin-6-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 146304752
4-amino-5-methyl-2-[8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazin-6-yl]-5-[4-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 118566171
4-amino-5-(4-iodophenyl)-5-methyl-2-[8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 118567178
4-amino-5-methyl-5-[4-(trifluoromethoxy)phenyl]-2-[8-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 118566951

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(5-fluoro-2-pyridinyl)-5-methyl-2-[8-(2-methylpropyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 4-amino-5-(5-fluoro-2-pyridinyl)-5-methyl-2-[8-(2-methylpropyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one (CID 118567182) is 4-amino-5-(5-fluoro-2-pyridinyl)-5-methyl-2-[8-(2-methylpropyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 4-amino-5-(5-fluoro-2-pyridinyl)-5-methyl-2-[8-(2-methylpropyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 4-amino-5-(5-fluoro-2-pyridinyl)-5-methyl-2-[8-(2-methylpropyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one is CC(C)Cc1nc(-c2nc(N)c3c(n2)NC(=O)C3(C)c2ccc(F)cn2)cn2ccnc12.
What is the InChIKey of 4-amino-5-(5-fluoro-2-pyridinyl)-5-methyl-2-[8-(2-methylpropyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is IZJAUPBRTKGUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN8O/c1-11(2)8-13-20-25-6-7-31(20)10-14(27-13)18-28-17(24)16-19(29-18)30-21(32)22(16,3)15-5-4-12(23)9-26-15/h4-7,9-11H,8H2,1-3H3,(H3,24,28,29,30,32).
What are the key properties of 4-amino-5-(5-fluoro-2-pyridinyl)-5-methyl-2-[8-(2-methylpropyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one?
4-amino-5-(5-fluoro-2-pyridinyl)-5-methyl-2-[8-(2-methylpropyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 432.46 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(5-fluoro-2-pyridinyl)-5-methyl-2-[8-(2-methylpropyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 118567182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).