2-[(5-fluoro-1H-indol-3-yl)methyl]-5-methyl-3-(1-methylimidazol-2-yl)-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione

C23H24FN7O2 — CID 59987329

IUPAC2-[(5-fluoro-1H-indol-3-yl)methyl]-5-methyl-3-(1-methylimidazol-2-yl)-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione
SMILESCC(C)Cn1c(=O)n(C)c(=O)c2c(-c3nccn3C)n(Cc3c[nH]c4ccc(F)cc34)nc21
InChIInChI=1S/C23H24FN7O2/c1-13(2)11-30-20-18(22(32)29(4)23(30)33)19(21-25-7-8-28(21)3)31(27-20)12-14-10-26-17-6-5-15(24)9-16(14)17/h5-10,13,26H,11-12H2,1-4H3
InChIKeyDAKFTGYOCSGDEO-UHFFFAOYSA-N
MW449.49 g/mol
LogP2.62
Rot. Bonds5

About 2-[(5-fluoro-1H-indol-3-yl)methyl]-5-methyl-3-(1-methylimidazol-2-yl)-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione

2-[(5-fluoro-1H-indol-3-yl)methyl]-5-methyl-3-(1-methylimidazol-2-yl)-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione (PubChem CID 59987329) has the molecular formula C23H24FN7O2 and a molecular weight of 449.49 g/mol. Its IUPAC name is 2-[(5-fluoro-1H-indol-3-yl)methyl]-5-methyl-3-(1-methylimidazol-2-yl)-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione.

Molecular Properties

Compound Name2-[(5-fluoro-1H-indol-3-yl)methyl]-5-methyl-3-(1-methylimidazol-2-yl)-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione
PubChem CID59987329
Molecular FormulaC23H24FN7O2
Molecular Weight449.49 g/mol
Exact Mass449.20
IUPAC Name2-[(5-fluoro-1H-indol-3-yl)methyl]-5-methyl-3-(1-methylimidazol-2-yl)-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione
SMILESCC(C)Cn1c(=O)n(C)c(=O)c2c(-c3nccn3C)n(Cc3c[nH]c4ccc(F)cc34)nc21
InChIInChI=1S/C23H24FN7O2/c1-13(2)11-30-20-18(22(32)29(4)23(30)33)19(21-25-7-8-28(21)3)31(27-20)12-14-10-26-17-6-5-15(24)9-16(14)17/h5-10,13,26H,11-12H2,1-4H3
InChIKeyDAKFTGYOCSGDEO-UHFFFAOYSA-N
XLogP2.62
TPSA95.43 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[(5-fluoro-1H-indol-3-yl)methyl]-5-methyl-3-(1-methylimidazol-2-yl)-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-1H-indol-3-yl)methyl]-5-methyl-3-(1-methylimidazol-2-yl)-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione?
The IUPAC name of 2-[(5-fluoro-1H-indol-3-yl)methyl]-5-methyl-3-(1-methylimidazol-2-yl)-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione (CID 59987329) is 2-[(5-fluoro-1H-indol-3-yl)methyl]-5-methyl-3-(1-methylimidazol-2-yl)-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione.
What is the SMILES notation for 2-[(5-fluoro-1H-indol-3-yl)methyl]-5-methyl-3-(1-methylimidazol-2-yl)-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione?
The canonical SMILES for 2-[(5-fluoro-1H-indol-3-yl)methyl]-5-methyl-3-(1-methylimidazol-2-yl)-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione is CC(C)Cn1c(=O)n(C)c(=O)c2c(-c3nccn3C)n(Cc3c[nH]c4ccc(F)cc34)nc21.
What is the InChIKey of 2-[(5-fluoro-1H-indol-3-yl)methyl]-5-methyl-3-(1-methylimidazol-2-yl)-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione?
The InChIKey is DAKFTGYOCSGDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN7O2/c1-13(2)11-30-20-18(22(32)29(4)23(30)33)19(21-25-7-8-28(21)3)31(27-20)12-14-10-26-17-6-5-15(24)9-16(14)17/h5-10,13,26H,11-12H2,1-4H3.
What are the key properties of 2-[(5-fluoro-1H-indol-3-yl)methyl]-5-methyl-3-(1-methylimidazol-2-yl)-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione?
2-[(5-fluoro-1H-indol-3-yl)methyl]-5-methyl-3-(1-methylimidazol-2-yl)-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione has a molecular weight of 449.49 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-1H-indol-3-yl)methyl]-5-methyl-3-(1-methylimidazol-2-yl)-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione is sourced from PubChem (CID 59987329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).