6-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]pyrrolo[3,4-d]pyrimidin-5-ol

C21H16FN5O — CID 137128637

IUPAC6-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]pyrrolo[3,4-d]pyrimidin-5-ol
SMILESCn1cc2cc(-c3ccc(Cn4cc5ncncc5c4O)c(F)c3)ccc2n1
InChIInChI=1S/C21H16FN5O/c1-26-9-16-6-13(4-5-19(16)25-26)14-2-3-15(18(22)7-14)10-27-11-20-17(21(27)28)8-23-12-24-20/h2-9,11-12,28H,10H2,1H3
InChIKeyBDIRNEUSUZGISF-UHFFFAOYSA-N
MW373.39 g/mol
LogP3.88
Rot. Bonds3

About 6-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]pyrrolo[3,4-d]pyrimidin-5-ol

6-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]pyrrolo[3,4-d]pyrimidin-5-ol (PubChem CID 137128637) has the molecular formula C21H16FN5O and a molecular weight of 373.39 g/mol. Its IUPAC name is 6-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]pyrrolo[3,4-d]pyrimidin-5-ol.

Molecular Properties

Compound Name6-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]pyrrolo[3,4-d]pyrimidin-5-ol
PubChem CID137128637
Molecular FormulaC21H16FN5O
Molecular Weight373.39 g/mol
Exact Mass373.13
IUPAC Name6-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]pyrrolo[3,4-d]pyrimidin-5-ol
SMILESCn1cc2cc(-c3ccc(Cn4cc5ncncc5c4O)c(F)c3)ccc2n1
InChIInChI=1S/C21H16FN5O/c1-26-9-16-6-13(4-5-19(16)25-26)14-2-3-15(18(22)7-14)10-27-11-20-17(21(27)28)8-23-12-24-20/h2-9,11-12,28H,10H2,1H3
InChIKeyBDIRNEUSUZGISF-UHFFFAOYSA-N
XLogP3.88
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]pyrrolo[3,4-d]pyrimidin-5-ol?
The IUPAC name of 6-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]pyrrolo[3,4-d]pyrimidin-5-ol (CID 137128637) is 6-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]pyrrolo[3,4-d]pyrimidin-5-ol.
What is the SMILES notation for 6-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]pyrrolo[3,4-d]pyrimidin-5-ol?
The canonical SMILES for 6-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]pyrrolo[3,4-d]pyrimidin-5-ol is Cn1cc2cc(-c3ccc(Cn4cc5ncncc5c4O)c(F)c3)ccc2n1.
What is the InChIKey of 6-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]pyrrolo[3,4-d]pyrimidin-5-ol?
The InChIKey is BDIRNEUSUZGISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5O/c1-26-9-16-6-13(4-5-19(16)25-26)14-2-3-15(18(22)7-14)10-27-11-20-17(21(27)28)8-23-12-24-20/h2-9,11-12,28H,10H2,1H3.
What are the key properties of 6-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]pyrrolo[3,4-d]pyrimidin-5-ol?
6-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]pyrrolo[3,4-d]pyrimidin-5-ol has a molecular weight of 373.39 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]pyrrolo[3,4-d]pyrimidin-5-ol is sourced from PubChem (CID 137128637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).