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

C13H17N5O2 — CID 42226847

IUPACethyl 1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ncnc3[nH]ncc23)CC1
InChIInChI=1S/C13H17N5O2/c1-2-20-13(19)9-3-5-18(6-4-9)12-10-7-16-17-11(10)14-8-15-12/h7-9H,2-6H2,1H3,(H,14,15,16,17)
InChIKeyIATPTVGTDUGNEH-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.13
Rot. Bonds3

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

ethyl 1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylate (PubChem CID 42226847) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is ethyl 1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylate
PubChem CID42226847
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Nameethyl 1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ncnc3[nH]ncc23)CC1
InChIInChI=1S/C13H17N5O2/c1-2-20-13(19)9-3-5-18(6-4-9)12-10-7-16-17-11(10)14-8-15-12/h7-9H,2-6H2,1H3,(H,14,15,16,17)
InChIKeyIATPTVGTDUGNEH-UHFFFAOYSA-N
XLogP1.13
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
CID 84818655
ethyl 1-(3-oxo-2H-1,2,4-triazin-5-yl)piperidine-4-carboxylate
CID 9124455
ethyl 1-[5-amino-6-(2,2-dimethylhydrazinyl)pyrimidin-4-yl]piperidine-4-carboxylate
CID 19142069
4-(azetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 131087765
ethyl 1-(5-amino-6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxylate
CID 19142197
(3S)-N-(cyclopropylmethyl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 97076436
4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 138511220
5-methyl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]thiophene-2-carboxamide
CID 133278481
ethyl 1-[6-(ethylamino)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate
CID 23487096
4-[4-[(2,5,6-trimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 155798985
ethyl 1-(2-oxo-1H-pyrazin-3-yl)piperidine-4-carboxylate
CID 115650147
methyl 1-(6-amino-5-ethylpyrimidin-4-yl)piperidine-4-carboxylate
CID 141092846

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylate (CID 42226847) is ethyl 1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylate is CCOC(=O)C1CCN(c2ncnc3[nH]ncc23)CC1.
What is the InChIKey of ethyl 1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylate?
The InChIKey is IATPTVGTDUGNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-2-20-13(19)9-3-5-18(6-4-9)12-10-7-16-17-11(10)14-8-15-12/h7-9H,2-6H2,1H3,(H,14,15,16,17).
What are the key properties of ethyl 1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylate?
ethyl 1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylate has a molecular weight of 275.31 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylate is sourced from PubChem (CID 42226847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).