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

C22H21FN8O — CID 121348348

IUPAC4-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
SMILESCC(C)Cc1nc(-c2nc(N)c3c(n2)NC(=O)C3(C)c2ccc(F)cc2)cn2ncnc12
InChIInChI=1S/C22H21FN8O/c1-11(2)8-14-20-25-10-26-31(20)9-15(27-14)18-28-17(24)16-19(29-18)30-21(32)22(16,3)12-4-6-13(23)7-5-12/h4-7,9-11H,8H2,1-3H3,(H3,24,28,29,30,32)
InChIKeyZVOJZWYYPZJKMF-UHFFFAOYSA-N
MW432.46 g/mol
LogP2.76
Rot. Bonds4

About 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

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 (PubChem CID 121348348) has the molecular formula C22H21FN8O and a molecular weight of 432.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID121348348
Molecular FormulaC22H21FN8O
Molecular Weight432.46 g/mol
Exact Mass432.18
IUPAC Name4-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
SMILESCC(C)Cc1nc(-c2nc(N)c3c(n2)NC(=O)C3(C)c2ccc(F)cc2)cn2ncnc12
InChIInChI=1S/C22H21FN8O/c1-11(2)8-14-20-25-10-26-31(20)9-15(27-14)18-28-17(24)16-19(29-18)30-21(32)22(16,3)12-4-6-13(23)7-5-12/h4-7,9-11H,8H2,1-3H3,(H3,24,28,29,30,32)
InChIKeyZVOJZWYYPZJKMF-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

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)Cc1nc(-c2nc(N)c3c(n2)NC(=O)C3(C)c2ccc(F)cc2)cn2ncnc12.
What is the InChIKey of 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?
The InChIKey is ZVOJZWYYPZJKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN8O/c1-11(2)8-14-20-25-10-26-31(20)9-15(27-14)18-28-17(24)16-19(29-18)30-21(32)22(16,3)12-4-6-13(23)7-5-12/h4-7,9-11H,8H2,1-3H3,(H3,24,28,29,30,32).
What are the key properties of 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?
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 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-(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 is sourced from PubChem (CID 121348348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).