methyl 3-fluoro-4-(1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzoate

C18H18FN5O3 — CID 66915520

IUPACmethyl 3-fluoro-4-(1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzoate
SMILESCOC(=O)c1ccc(Oc2ncnc3c2cnn3C2CCNCC2)c(F)c1
InChIInChI=1S/C18H18FN5O3/c1-26-18(25)11-2-3-15(14(19)8-11)27-17-13-9-23-24(16(13)21-10-22-17)12-4-6-20-7-5-12/h2-3,8-10,12,20H,4-7H2,1H3
InChIKeyNPPDIZCEXNFTTA-UHFFFAOYSA-N
MW371.37 g/mol
LogP2.47
Rot. Bonds4

About methyl 3-fluoro-4-(1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzoate

methyl 3-fluoro-4-(1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzoate (PubChem CID 66915520) has the molecular formula C18H18FN5O3 and a molecular weight of 371.37 g/mol. Its IUPAC name is methyl 3-fluoro-4-(1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzoate.

Molecular Properties

Compound Namemethyl 3-fluoro-4-(1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzoate
PubChem CID66915520
Molecular FormulaC18H18FN5O3
Molecular Weight371.37 g/mol
Exact Mass371.14
IUPAC Namemethyl 3-fluoro-4-(1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzoate
SMILESCOC(=O)c1ccc(Oc2ncnc3c2cnn3C2CCNCC2)c(F)c1
InChIInChI=1S/C18H18FN5O3/c1-26-18(25)11-2-3-15(14(19)8-11)27-17-13-9-23-24(16(13)21-10-22-17)12-4-6-20-7-5-12/h2-3,8-10,12,20H,4-7H2,1H3
InChIKeyNPPDIZCEXNFTTA-UHFFFAOYSA-N
XLogP2.47
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 3-fluoro-4-(1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzoate 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 methyl 3-fluoro-4-(1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzoate?
The IUPAC name of methyl 3-fluoro-4-(1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzoate (CID 66915520) is methyl 3-fluoro-4-(1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzoate.
What is the SMILES notation for methyl 3-fluoro-4-(1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzoate?
The canonical SMILES for methyl 3-fluoro-4-(1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzoate is COC(=O)c1ccc(Oc2ncnc3c2cnn3C2CCNCC2)c(F)c1.
What is the InChIKey of methyl 3-fluoro-4-(1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzoate?
The InChIKey is NPPDIZCEXNFTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O3/c1-26-18(25)11-2-3-15(14(19)8-11)27-17-13-9-23-24(16(13)21-10-22-17)12-4-6-20-7-5-12/h2-3,8-10,12,20H,4-7H2,1H3.
What are the key properties of methyl 3-fluoro-4-(1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzoate?
methyl 3-fluoro-4-(1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzoate has a molecular weight of 371.37 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluoro-4-(1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzoate is sourced from PubChem (CID 66915520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).