ethyl 4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carboxylate

C18H27N5O2 — CID 70753347

IUPACethyl 4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2cc(CC)nc3c(C)c(C)nn23)CC1
InChIInChI=1S/C18H27N5O2/c1-5-14-11-16(23-17(20-14)12(3)13(4)21-23)19-15-7-9-22(10-8-15)18(24)25-6-2/h11,15,19H,5-10H2,1-4H3
InChIKeyFXNAYFBPMXHBFN-UHFFFAOYSA-N
MW345.45 g/mol
LogP2.94
Rot. Bonds4

About ethyl 4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carboxylate

ethyl 4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carboxylate (PubChem CID 70753347) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is ethyl 4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carboxylate
PubChem CID70753347
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Nameethyl 4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2cc(CC)nc3c(C)c(C)nn23)CC1
InChIInChI=1S/C18H27N5O2/c1-5-14-11-16(23-17(20-14)12(3)13(4)21-23)19-15-7-9-22(10-8-15)18(24)25-6-2/h11,15,19H,5-10H2,1-4H3
InChIKeyFXNAYFBPMXHBFN-UHFFFAOYSA-N
XLogP2.94
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carboxylate (CID 70753347) is ethyl 4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2cc(CC)nc3c(C)c(C)nn23)CC1.
What is the InChIKey of ethyl 4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carboxylate?
The InChIKey is FXNAYFBPMXHBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-5-14-11-16(23-17(20-14)12(3)13(4)21-23)19-15-7-9-22(10-8-15)18(24)25-6-2/h11,15,19H,5-10H2,1-4H3.
What are the key properties of ethyl 4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carboxylate?
ethyl 4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carboxylate has a molecular weight of 345.45 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 70753347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).