4-[4-(2-fluoro-4-methoxycarbonylphenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylic acid

C19H18FN5O5 — CID 69055316

IUPAC4-[4-(2-fluoro-4-methoxycarbonylphenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylic acid
SMILESCOC(=O)c1ccc(Oc2ncnc3c2cnn3C2CCN(C(=O)O)CC2)c(F)c1
InChIInChI=1S/C19H18FN5O5/c1-29-18(26)11-2-3-15(14(20)8-11)30-17-13-9-23-25(16(13)21-10-22-17)12-4-6-24(7-5-12)19(27)28/h2-3,8-10,12H,4-7H2,1H3,(H,27,28)
InChIKeyOBWVAJNZBWKBEO-UHFFFAOYSA-N
MW415.38 g/mol
LogP2.86
Rot. Bonds4

About 4-[4-(2-fluoro-4-methoxycarbonylphenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylic acid

4-[4-(2-fluoro-4-methoxycarbonylphenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylic acid (PubChem CID 69055316) has the molecular formula C19H18FN5O5 and a molecular weight of 415.38 g/mol. Its IUPAC name is 4-[4-(2-fluoro-4-methoxycarbonylphenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-(2-fluoro-4-methoxycarbonylphenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylic acid
PubChem CID69055316
Molecular FormulaC19H18FN5O5
Molecular Weight415.38 g/mol
Exact Mass415.13
IUPAC Name4-[4-(2-fluoro-4-methoxycarbonylphenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylic acid
SMILESCOC(=O)c1ccc(Oc2ncnc3c2cnn3C2CCN(C(=O)O)CC2)c(F)c1
InChIInChI=1S/C19H18FN5O5/c1-29-18(26)11-2-3-15(14(20)8-11)30-17-13-9-23-25(16(13)21-10-22-17)12-4-6-24(7-5-12)19(27)28/h2-3,8-10,12H,4-7H2,1H3,(H,27,28)
InChIKeyOBWVAJNZBWKBEO-UHFFFAOYSA-N
XLogP2.86
TPSA119.67 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[4-(2-fluoro-4-methoxycarbonylphenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylic acid 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 4-[4-(2-fluoro-4-methoxycarbonylphenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[4-(2-fluoro-4-methoxycarbonylphenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylic acid (CID 69055316) is 4-[4-(2-fluoro-4-methoxycarbonylphenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[4-(2-fluoro-4-methoxycarbonylphenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[4-(2-fluoro-4-methoxycarbonylphenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylic acid is COC(=O)c1ccc(Oc2ncnc3c2cnn3C2CCN(C(=O)O)CC2)c(F)c1.
What is the InChIKey of 4-[4-(2-fluoro-4-methoxycarbonylphenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylic acid?
The InChIKey is OBWVAJNZBWKBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O5/c1-29-18(26)11-2-3-15(14(20)8-11)30-17-13-9-23-25(16(13)21-10-22-17)12-4-6-24(7-5-12)19(27)28/h2-3,8-10,12H,4-7H2,1H3,(H,27,28).
What are the key properties of 4-[4-(2-fluoro-4-methoxycarbonylphenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylic acid?
4-[4-(2-fluoro-4-methoxycarbonylphenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylic acid has a molecular weight of 415.38 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluoro-4-methoxycarbonylphenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 69055316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).