[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate

C19H26N4O3 — CID 46545423

IUPAC[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
SMILESCCN(C(=O)COC(=O)c1cnc2c(c1)c(C)nn2C)C1CCCCC1
InChIInChI=1S/C19H26N4O3/c1-4-23(15-8-6-5-7-9-15)17(24)12-26-19(25)14-10-16-13(2)21-22(3)18(16)20-11-14/h10-11,15H,4-9,12H2,1-3H3
InChIKeyKNFLFJZLBZVMKT-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.61
Rot. Bonds5

About [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate

[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate (PubChem CID 46545423) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Name[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
PubChem CID46545423
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
SMILESCCN(C(=O)COC(=O)c1cnc2c(c1)c(C)nn2C)C1CCCCC1
InChIInChI=1S/C19H26N4O3/c1-4-23(15-8-6-5-7-9-15)17(24)12-26-19(25)14-10-16-13(2)21-22(3)18(16)20-11-14/h10-11,15H,4-9,12H2,1-3H3
InChIKeyKNFLFJZLBZVMKT-UHFFFAOYSA-N
XLogP2.61
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate?
The IUPAC name of [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate (CID 46545423) is [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate.
What is the SMILES notation for [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate?
The canonical SMILES for [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate is CCN(C(=O)COC(=O)c1cnc2c(c1)c(C)nn2C)C1CCCCC1.
What is the InChIKey of [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate?
The InChIKey is KNFLFJZLBZVMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-4-23(15-8-6-5-7-9-15)17(24)12-26-19(25)14-10-16-13(2)21-22(3)18(16)20-11-14/h10-11,15H,4-9,12H2,1-3H3.
What are the key properties of [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate?
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate has a molecular weight of 358.44 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 46545423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).