ethyl 1-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carbonyl)piperidine-3-carboxylate

C20H27N5O3 — CID 134796775

IUPACethyl 1-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)C2CCN(c3ccnc4ccnn34)CC2)C1
InChIInChI=1S/C20H27N5O3/c1-2-28-20(27)16-4-3-11-24(14-16)19(26)15-7-12-23(13-8-15)18-6-9-21-17-5-10-22-25(17)18/h5-6,9-10,15-16H,2-4,7-8,11-14H2,1H3
InChIKeyMGGUJPTYRIIKSN-UHFFFAOYSA-N
MW385.47 g/mol
LogP1.75
Rot. Bonds4

About ethyl 1-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carbonyl)piperidine-3-carboxylate

ethyl 1-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carbonyl)piperidine-3-carboxylate (PubChem CID 134796775) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is ethyl 1-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carbonyl)piperidine-3-carboxylate
PubChem CID134796775
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC Nameethyl 1-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)C2CCN(c3ccnc4ccnn34)CC2)C1
InChIInChI=1S/C20H27N5O3/c1-2-28-20(27)16-4-3-11-24(14-16)19(26)15-7-12-23(13-8-15)18-6-9-21-17-5-10-22-25(17)18/h5-6,9-10,15-16H,2-4,7-8,11-14H2,1H3
InChIKeyMGGUJPTYRIIKSN-UHFFFAOYSA-N
XLogP1.75
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carbonyl)piperidine-3-carboxylate (CID 134796775) is ethyl 1-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carbonyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)C2CCN(c3ccnc4ccnn34)CC2)C1.
What is the InChIKey of ethyl 1-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carbonyl)piperidine-3-carboxylate?
The InChIKey is MGGUJPTYRIIKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-2-28-20(27)16-4-3-11-24(14-16)19(26)15-7-12-23(13-8-15)18-6-9-21-17-5-10-22-25(17)18/h5-6,9-10,15-16H,2-4,7-8,11-14H2,1H3.
What are the key properties of ethyl 1-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carbonyl)piperidine-3-carboxylate?
ethyl 1-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carbonyl)piperidine-3-carboxylate has a molecular weight of 385.47 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 134796775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).