ethyl 1-(1-ethyl-3-methylpyrazolo[4,5-d]pyrimidin-7-yl)piperidine-3-carboxylate

C16H23N5O2 — CID 56730294

IUPACethyl 1-(1-ethyl-3-methylpyrazolo[4,5-d]pyrimidin-7-yl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(c2ncnc3c(C)nn(CC)c23)C1
InChIInChI=1S/C16H23N5O2/c1-4-21-14-13(11(3)19-21)17-10-18-15(14)20-8-6-7-12(9-20)16(22)23-5-2/h10,12H,4-9H2,1-3H3
InChIKeyDYILYRZVVLBTHJ-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.93
Rot. Bonds4

About ethyl 1-(1-ethyl-3-methylpyrazolo[4,5-d]pyrimidin-7-yl)piperidine-3-carboxylate

ethyl 1-(1-ethyl-3-methylpyrazolo[4,5-d]pyrimidin-7-yl)piperidine-3-carboxylate (PubChem CID 56730294) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is ethyl 1-(1-ethyl-3-methylpyrazolo[4,5-d]pyrimidin-7-yl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1-ethyl-3-methylpyrazolo[4,5-d]pyrimidin-7-yl)piperidine-3-carboxylate
PubChem CID56730294
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Nameethyl 1-(1-ethyl-3-methylpyrazolo[4,5-d]pyrimidin-7-yl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(c2ncnc3c(C)nn(CC)c23)C1
InChIInChI=1S/C16H23N5O2/c1-4-21-14-13(11(3)19-21)17-10-18-15(14)20-8-6-7-12(9-20)16(22)23-5-2/h10,12H,4-9H2,1-3H3
InChIKeyDYILYRZVVLBTHJ-UHFFFAOYSA-N
XLogP1.93
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 1-(5-amino-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-3-carboxylate
CID 19137273
ethyl 1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-3-carboxylate
CID 102687115
ethyl 1-[5-amino-6-(ethylamino)pyrimidin-4-yl]piperidine-3-carboxylate
CID 19135200
ethyl 1-[5-amino-6-(cycloheptylamino)pyrimidin-4-yl]piperidine-3-carboxylate
CID 19142332
ethyl (3R)-1-(6-formylquinazolin-4-yl)piperidine-3-carboxylate
CID 124514606
ethyl 1-[5-amino-6-[butyl(methyl)amino]pyrimidin-4-yl]piperidine-3-carboxylate
CID 19139757
ethyl 1-(3-methoxy-2-pyridinyl)piperidine-3-carboxylate
CID 113371227
ethyl 1-[5-amino-6-(4-bromophenoxy)pyrimidin-4-yl]piperidine-3-carboxylate
CID 19142349
ethyl 1-[5-amino-6-(2,3-dihydroindol-1-yl)pyrimidin-4-yl]piperidine-3-carboxylate
CID 22543201
ethyl 1-[5-nitro-6-(propylamino)pyrimidin-4-yl]piperidine-3-carboxylate
CID 23487299
ethyl 1-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]piperidine-3-carboxylate
CID 23492587
ethyl 1-[5-amino-6-(2-methylanilino)pyrimidin-4-yl]piperidine-3-carboxylate
CID 19142243

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(1-ethyl-3-methylpyrazolo[4,5-d]pyrimidin-7-yl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(1-ethyl-3-methylpyrazolo[4,5-d]pyrimidin-7-yl)piperidine-3-carboxylate (CID 56730294) is ethyl 1-(1-ethyl-3-methylpyrazolo[4,5-d]pyrimidin-7-yl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(1-ethyl-3-methylpyrazolo[4,5-d]pyrimidin-7-yl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(1-ethyl-3-methylpyrazolo[4,5-d]pyrimidin-7-yl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(c2ncnc3c(C)nn(CC)c23)C1.
What is the InChIKey of ethyl 1-(1-ethyl-3-methylpyrazolo[4,5-d]pyrimidin-7-yl)piperidine-3-carboxylate?
The InChIKey is DYILYRZVVLBTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-4-21-14-13(11(3)19-21)17-10-18-15(14)20-8-6-7-12(9-20)16(22)23-5-2/h10,12H,4-9H2,1-3H3.
What are the key properties of ethyl 1-(1-ethyl-3-methylpyrazolo[4,5-d]pyrimidin-7-yl)piperidine-3-carboxylate?
ethyl 1-(1-ethyl-3-methylpyrazolo[4,5-d]pyrimidin-7-yl)piperidine-3-carboxylate has a molecular weight of 317.39 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(1-ethyl-3-methylpyrazolo[4,5-d]pyrimidin-7-yl)piperidine-3-carboxylate is sourced from PubChem (CID 56730294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).