ethyl 1-[1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carboxylate

C20H23N5O2 — CID 3239115

IUPACethyl 1-[1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(c2ncnc3c2cnn3-c2cccc(C)c2)C1
InChIInChI=1S/C20H23N5O2/c1-3-27-20(26)15-7-5-9-24(12-15)18-17-11-23-25(19(17)22-13-21-18)16-8-4-6-14(2)10-16/h4,6,8,10-11,13,15H,3,5,7,9,12H2,1-2H3
InChIKeyGGGDGSIRUOCZHN-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.90
Rot. Bonds4

About ethyl 1-[1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carboxylate

ethyl 1-[1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carboxylate (PubChem CID 3239115) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is ethyl 1-[1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carboxylate
PubChem CID3239115
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Nameethyl 1-[1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(c2ncnc3c2cnn3-c2cccc(C)c2)C1
InChIInChI=1S/C20H23N5O2/c1-3-27-20(26)15-7-5-9-24(12-15)18-17-11-23-25(19(17)22-13-21-18)16-8-4-6-14(2)10-16/h4,6,8,10-11,13,15H,3,5,7,9,12H2,1-2H3
InChIKeyGGGDGSIRUOCZHN-UHFFFAOYSA-N
XLogP2.90
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carboxylate (CID 3239115) is ethyl 1-[1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(c2ncnc3c2cnn3-c2cccc(C)c2)C1.
What is the InChIKey of ethyl 1-[1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carboxylate?
The InChIKey is GGGDGSIRUOCZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-3-27-20(26)15-7-5-9-24(12-15)18-17-11-23-25(19(17)22-13-21-18)16-8-4-6-14(2)10-16/h4,6,8,10-11,13,15H,3,5,7,9,12H2,1-2H3.
What are the key properties of ethyl 1-[1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carboxylate?
ethyl 1-[1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carboxylate has a molecular weight of 365.44 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carboxylate is sourced from PubChem (CID 3239115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).