6-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)pyrrolo[3,4-d]pyrimidin-5-ol

C18H19FN4O — CID 155564217

IUPAC6-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)pyrrolo[3,4-d]pyrimidin-5-ol
SMILESCC1CCN(c2ncc3c(O)n(-c4ccc(F)cc4)cc3n2)CC1
InChIInChI=1S/C18H19FN4O/c1-12-6-8-22(9-7-12)18-20-10-15-16(21-18)11-23(17(15)24)14-4-2-13(19)3-5-14/h2-5,10-12,24H,6-9H2,1H3
InChIKeyJCAOKMPWPBCJKI-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.50
Rot. Bonds2

About 6-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)pyrrolo[3,4-d]pyrimidin-5-ol

6-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)pyrrolo[3,4-d]pyrimidin-5-ol (PubChem CID 155564217) has the molecular formula C18H19FN4O and a molecular weight of 326.38 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)pyrrolo[3,4-d]pyrimidin-5-ol.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)pyrrolo[3,4-d]pyrimidin-5-ol
PubChem CID155564217
Molecular FormulaC18H19FN4O
Molecular Weight326.38 g/mol
Exact Mass326.15
IUPAC Name6-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)pyrrolo[3,4-d]pyrimidin-5-ol
SMILESCC1CCN(c2ncc3c(O)n(-c4ccc(F)cc4)cc3n2)CC1
InChIInChI=1S/C18H19FN4O/c1-12-6-8-22(9-7-12)18-20-10-15-16(21-18)11-23(17(15)24)14-4-2-13(19)3-5-14/h2-5,10-12,24H,6-9H2,1H3
InChIKeyJCAOKMPWPBCJKI-UHFFFAOYSA-N
XLogP3.50
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)pyrrolo[3,4-d]pyrimidin-5-ol?
The IUPAC name of 6-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)pyrrolo[3,4-d]pyrimidin-5-ol (CID 155564217) is 6-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)pyrrolo[3,4-d]pyrimidin-5-ol.
What is the SMILES notation for 6-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)pyrrolo[3,4-d]pyrimidin-5-ol?
The canonical SMILES for 6-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)pyrrolo[3,4-d]pyrimidin-5-ol is CC1CCN(c2ncc3c(O)n(-c4ccc(F)cc4)cc3n2)CC1.
What is the InChIKey of 6-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)pyrrolo[3,4-d]pyrimidin-5-ol?
The InChIKey is JCAOKMPWPBCJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O/c1-12-6-8-22(9-7-12)18-20-10-15-16(21-18)11-23(17(15)24)14-4-2-13(19)3-5-14/h2-5,10-12,24H,6-9H2,1H3.
What are the key properties of 6-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)pyrrolo[3,4-d]pyrimidin-5-ol?
6-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)pyrrolo[3,4-d]pyrimidin-5-ol has a molecular weight of 326.38 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)pyrrolo[3,4-d]pyrimidin-5-ol is sourced from PubChem (CID 155564217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).