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

C14H19N5O2 — CID 2809613

IUPACethyl 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ncnc3c2cnn3C)CC1
InChIInChI=1S/C14H19N5O2/c1-3-21-14(20)10-4-6-19(7-5-10)13-11-8-17-18(2)12(11)15-9-16-13/h8-10H,3-7H2,1-2H3
InChIKeyMHDNVHRNGDKHPO-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.14
Rot. Bonds3

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

ethyl 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylate (PubChem CID 2809613) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is ethyl 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylate
PubChem CID2809613
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Nameethyl 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ncnc3c2cnn3C)CC1
InChIInChI=1S/C14H19N5O2/c1-3-21-14(20)10-4-6-19(7-5-10)13-11-8-17-18(2)12(11)15-9-16-13/h8-10H,3-7H2,1-2H3
InChIKeyMHDNVHRNGDKHPO-UHFFFAOYSA-N
XLogP1.14
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylate (CID 2809613) is ethyl 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylate is CCOC(=O)C1CCN(c2ncnc3c2cnn3C)CC1.
What is the InChIKey of ethyl 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylate?
The InChIKey is MHDNVHRNGDKHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-3-21-14(20)10-4-6-19(7-5-10)13-11-8-17-18(2)12(11)15-9-16-13/h8-10H,3-7H2,1-2H3.
What are the key properties of ethyl 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylate?
ethyl 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylate has a molecular weight of 289.34 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylate is sourced from PubChem (CID 2809613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).