3-fluoro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;1-propan-2-yl-5H-benzimidazol-4-one;3-propan-2-yl-5,7-dihydroimidazo[1,2-a]purine-6,9-dione;3-propan-2-yl-4H-imidazo[1,2-a]purin-9-one;8-propan-2-ylimidazo[1,2-a]pyrimidin-5-one;5-propan-2-ylimidazo[1,2-b]pyridazin-8-one;1-propan-2-yl-5H-pyrrolo[2,1-b]purin-4-one;1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one

C79H91FN26O9 — CID 158794257

IUPAC3-fluoro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;1-propan-2-yl-5H-benzimidazol-4-one;3-propan-2-yl-5,7-dihydroimidazo[1,2-a]purine-6,9-dione;3-propan-2-yl-4H-imidazo[1,2-a]purin-9-one;8-propan-2-ylimidazo[1,2-a]pyrimidin-5-one;5-propan-2-ylimidazo[1,2-b]pyridazin-8-one;1-propan-2-yl-5H-pyrrolo[2,1-b]purin-4-one;1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one
SMILESCC(C)n1cc(F)c2c1N=CCC2=O.CC(C)n1ccc(=O)c2nccn21.CC(C)n1ccc(=O)n2ccnc12.CC(C)n1ccc2c1N=CCC2=O.CC(C)n1cnc2c(=O)[nH]c3cccn3c21.CC(C)n1cnc2c(=O)n3c(nc21)NC(=O)C3.CC(C)n1cnc2c(=O)n3ccnc3[nH]c21.CC(C)n1cnc2c1C=CCC2=O
InChIInChI=1S/C11H12N4O.C10H11FN2O.C10H11N5O2.C10H11N5O.2C10H12N2O.2C9H11N3O/c1-7(2)15-6-12-9-10(16)13-8-4-3-5-14(8)11(9)15;1-6(2)13-5-7(11)9-8(14)3-4-12-10(9)13;1-5(2)15-4-11-7-8(15)13-10-12-6(16)3-14(10)9(7)17;1-6(2)15-5-12-7-8(15)13-10-11-3-4-14(10)9(7)16;1-7(2)12-6-4-8-9(13)3-5-11-10(8)12;1-7(2)12-6-11-10-8(12)4-3-5-9(10)13;1-7(2)11-5-3-8(13)12-6-4-10-9(11)12;1-7(2)11-5-3-8(13)9-10-4-6-12(9)11/h3-7H,1-2H3,(H,13,16);4-6H,3H2,1-2H3;4-5H,3H2,1-2H3,(H,12,13,16);3-6H,1-2H3,(H,11,13);4-7H,3H2,1-2H3;3-4,6-7H,5H2,1-2H3;2*3-7H,1-2H3
InChIKeyISRAWBRYCYZCDF-UHFFFAOYSA-N
MW1567.77 g/mol
LogP11.71
Rot. Bonds8

About 3-fluoro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;1-propan-2-yl-5H-benzimidazol-4-one;3-propan-2-yl-5,7-dihydroimidazo[1,2-a]purine-6,9-dione;3-propan-2-yl-4H-imidazo[1,2-a]purin-9-one;8-propan-2-ylimidazo[1,2-a]pyrimidin-5-one;5-propan-2-ylimidazo[1,2-b]pyridazin-8-one;1-propan-2-yl-5H-pyrrolo[2,1-b]purin-4-one;1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one

3-fluoro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;1-propan-2-yl-5H-benzimidazol-4-one;3-propan-2-yl-5,7-dihydroimidazo[1,2-a]purine-6,9-dione;3-propan-2-yl-4H-imidazo[1,2-a]purin-9-one;8-propan-2-ylimidazo[1,2-a]pyrimidin-5-one;5-propan-2-ylimidazo[1,2-b]pyridazin-8-one;1-propan-2-yl-5H-pyrrolo[2,1-b]purin-4-one;1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one (PubChem CID 158794257) has the molecular formula C79H91FN26O9 and a molecular weight of 1567.77 g/mol. Its IUPAC name is 3-fluoro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;1-propan-2-yl-5H-benzimidazol-4-one;3-propan-2-yl-5,7-dihydroimidazo[1,2-a]purine-6,9-dione;3-propan-2-yl-4H-imidazo[1,2-a]purin-9-one;8-propan-2-ylimidazo[1,2-a]pyrimidin-5-one;5-propan-2-ylimidazo[1,2-b]pyridazin-8-one;1-propan-2-yl-5H-pyrrolo[2,1-b]purin-4-one;1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one.

Molecular Properties

Compound Name3-fluoro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;1-propan-2-yl-5H-benzimidazol-4-one;3-propan-2-yl-5,7-dihydroimidazo[1,2-a]purine-6,9-dione;3-propan-2-yl-4H-imidazo[1,2-a]purin-9-one;8-propan-2-ylimidazo[1,2-a]pyrimidin-5-one;5-propan-2-ylimidazo[1,2-b]pyridazin-8-one;1-propan-2-yl-5H-pyrrolo[2,1-b]purin-4-one;1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one
PubChem CID158794257
Molecular FormulaC79H91FN26O9
Molecular Weight1567.77 g/mol
Exact Mass1566.74
IUPAC Name3-fluoro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;1-propan-2-yl-5H-benzimidazol-4-one;3-propan-2-yl-5,7-dihydroimidazo[1,2-a]purine-6,9-dione;3-propan-2-yl-4H-imidazo[1,2-a]purin-9-one;8-propan-2-ylimidazo[1,2-a]pyrimidin-5-one;5-propan-2-ylimidazo[1,2-b]pyridazin-8-one;1-propan-2-yl-5H-pyrrolo[2,1-b]purin-4-one;1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one
SMILESCC(C)n1cc(F)c2c1N=CCC2=O.CC(C)n1ccc(=O)c2nccn21.CC(C)n1ccc(=O)n2ccnc12.CC(C)n1ccc2c1N=CCC2=O.CC(C)n1cnc2c(=O)[nH]c3cccn3c21.CC(C)n1cnc2c(=O)n3c(nc21)NC(=O)C3.CC(C)n1cnc2c(=O)n3ccnc3[nH]c21.CC(C)n1cnc2c1C=CCC2=O
InChIInChI=1S/C11H12N4O.C10H11FN2O.C10H11N5O2.C10H11N5O.2C10H12N2O.2C9H11N3O/c1-7(2)15-6-12-9-10(16)13-8-4-3-5-14(8)11(9)15;1-6(2)13-5-7(11)9-8(14)3-4-12-10(9)13;1-5(2)15-4-11-7-8(15)13-10-12-6(16)3-14(10)9(7)17;1-6(2)15-5-12-7-8(15)13-10-11-3-4-14(10)9(7)16;1-7(2)12-6-4-8-9(13)3-5-11-10(8)12;1-7(2)12-6-11-10-8(12)4-3-5-9(10)13;1-7(2)11-5-3-8(13)12-6-4-10-9(11)12;1-7(2)11-5-3-8(13)9-10-4-6-12(9)11/h3-7H,1-2H3,(H,13,16);4-6H,3H2,1-2H3;4-5H,3H2,1-2H3,(H,12,13,16);3-6H,1-2H3,(H,11,13);4-7H,3H2,1-2H3;3-4,6-7H,5H2,1-2H3;2*3-7H,1-2H3
InChIKeyISRAWBRYCYZCDF-UHFFFAOYSA-N
XLogP11.71
TPSA387.09 Ų
H-Bond Donors3
H-Bond Acceptors32
Rotatable Bonds8
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001567.77
LogP ≤ 511.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1032

Analyze 3-fluoro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;1-propan-2-yl-5H-benzimidazol-4-one;3-propan-2-yl-5,7-dihydroimidazo[1,2-a]purine-6,9-dione;3-propan-2-yl-4H-imidazo[1,2-a]purin-9-one;8-propan-2-ylimidazo[1,2-a]pyrimidin-5-one;5-propan-2-ylimidazo[1,2-b]pyridazin-8-one;1-propan-2-yl-5H-pyrrolo[2,1-b]purin-4-one;1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;1-propan-2-yl-5H-benzimidazol-4-one;3-propan-2-yl-5,7-dihydroimidazo[1,2-a]purine-6,9-dione;3-propan-2-yl-4H-imidazo[1,2-a]purin-9-one;8-propan-2-ylimidazo[1,2-a]pyrimidin-5-one;5-propan-2-ylimidazo[1,2-b]pyridazin-8-one;1-propan-2-yl-5H-pyrrolo[2,1-b]purin-4-one;1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one?
The IUPAC name of 3-fluoro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;1-propan-2-yl-5H-benzimidazol-4-one;3-propan-2-yl-5,7-dihydroimidazo[1,2-a]purine-6,9-dione;3-propan-2-yl-4H-imidazo[1,2-a]purin-9-one;8-propan-2-ylimidazo[1,2-a]pyrimidin-5-one;5-propan-2-ylimidazo[1,2-b]pyridazin-8-one;1-propan-2-yl-5H-pyrrolo[2,1-b]purin-4-one;1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one (CID 158794257) is 3-fluoro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;1-propan-2-yl-5H-benzimidazol-4-one;3-propan-2-yl-5,7-dihydroimidazo[1,2-a]purine-6,9-dione;3-propan-2-yl-4H-imidazo[1,2-a]purin-9-one;8-propan-2-ylimidazo[1,2-a]pyrimidin-5-one;5-propan-2-ylimidazo[1,2-b]pyridazin-8-one;1-propan-2-yl-5H-pyrrolo[2,1-b]purin-4-one;1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one.
What is the SMILES notation for 3-fluoro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;1-propan-2-yl-5H-benzimidazol-4-one;3-propan-2-yl-5,7-dihydroimidazo[1,2-a]purine-6,9-dione;3-propan-2-yl-4H-imidazo[1,2-a]purin-9-one;8-propan-2-ylimidazo[1,2-a]pyrimidin-5-one;5-propan-2-ylimidazo[1,2-b]pyridazin-8-one;1-propan-2-yl-5H-pyrrolo[2,1-b]purin-4-one;1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one?
The canonical SMILES for 3-fluoro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;1-propan-2-yl-5H-benzimidazol-4-one;3-propan-2-yl-5,7-dihydroimidazo[1,2-a]purine-6,9-dione;3-propan-2-yl-4H-imidazo[1,2-a]purin-9-one;8-propan-2-ylimidazo[1,2-a]pyrimidin-5-one;5-propan-2-ylimidazo[1,2-b]pyridazin-8-one;1-propan-2-yl-5H-pyrrolo[2,1-b]purin-4-one;1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one is CC(C)n1cc(F)c2c1N=CCC2=O.CC(C)n1ccc(=O)c2nccn21.CC(C)n1ccc(=O)n2ccnc12.CC(C)n1ccc2c1N=CCC2=O.CC(C)n1cnc2c(=O)[nH]c3cccn3c21.CC(C)n1cnc2c(=O)n3c(nc21)NC(=O)C3.CC(C)n1cnc2c(=O)n3ccnc3[nH]c21.CC(C)n1cnc2c1C=CCC2=O.
What is the InChIKey of 3-fluoro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;1-propan-2-yl-5H-benzimidazol-4-one;3-propan-2-yl-5,7-dihydroimidazo[1,2-a]purine-6,9-dione;3-propan-2-yl-4H-imidazo[1,2-a]purin-9-one;8-propan-2-ylimidazo[1,2-a]pyrimidin-5-one;5-propan-2-ylimidazo[1,2-b]pyridazin-8-one;1-propan-2-yl-5H-pyrrolo[2,1-b]purin-4-one;1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one?
The InChIKey is ISRAWBRYCYZCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O.C10H11FN2O.C10H11N5O2.C10H11N5O.2C10H12N2O.2C9H11N3O/c1-7(2)15-6-12-9-10(16)13-8-4-3-5-14(8)11(9)15;1-6(2)13-5-7(11)9-8(14)3-4-12-10(9)13;1-5(2)15-4-11-7-8(15)13-10-12-6(16)3-14(10)9(7)17;1-6(2)15-5-12-7-8(15)13-10-11-3-4-14(10)9(7)16;1-7(2)12-6-4-8-9(13)3-5-11-10(8)12;1-7(2)12-6-11-10-8(12)4-3-5-9(10)13;1-7(2)11-5-3-8(13)12-6-4-10-9(11)12;1-7(2)11-5-3-8(13)9-10-4-6-12(9)11/h3-7H,1-2H3,(H,13,16);4-6H,3H2,1-2H3;4-5H,3H2,1-2H3,(H,12,13,16);3-6H,1-2H3,(H,11,13);4-7H,3H2,1-2H3;3-4,6-7H,5H2,1-2H3;2*3-7H,1-2H3.
What are the key properties of 3-fluoro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;1-propan-2-yl-5H-benzimidazol-4-one;3-propan-2-yl-5,7-dihydroimidazo[1,2-a]purine-6,9-dione;3-propan-2-yl-4H-imidazo[1,2-a]purin-9-one;8-propan-2-ylimidazo[1,2-a]pyrimidin-5-one;5-propan-2-ylimidazo[1,2-b]pyridazin-8-one;1-propan-2-yl-5H-pyrrolo[2,1-b]purin-4-one;1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one?
3-fluoro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;1-propan-2-yl-5H-benzimidazol-4-one;3-propan-2-yl-5,7-dihydroimidazo[1,2-a]purine-6,9-dione;3-propan-2-yl-4H-imidazo[1,2-a]purin-9-one;8-propan-2-ylimidazo[1,2-a]pyrimidin-5-one;5-propan-2-ylimidazo[1,2-b]pyridazin-8-one;1-propan-2-yl-5H-pyrrolo[2,1-b]purin-4-one;1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one has a molecular weight of 1567.77 g/mol, XLogP of 11.71, 8 rotatable bonds, 3 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;1-propan-2-yl-5H-benzimidazol-4-one;3-propan-2-yl-5,7-dihydroimidazo[1,2-a]purine-6,9-dione;3-propan-2-yl-4H-imidazo[1,2-a]purin-9-one;8-propan-2-ylimidazo[1,2-a]pyrimidin-5-one;5-propan-2-ylimidazo[1,2-b]pyridazin-8-one;1-propan-2-yl-5H-pyrrolo[2,1-b]purin-4-one;1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one is sourced from PubChem (CID 158794257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).