ethyl 4-amino-6-ethyl-1,3-dimethyl-5,6-dihydro-4H-pyrazolo[5,4-b]pyridine-7-carboxylate

C13H22N4O2 — CID 58662435

IUPACethyl 4-amino-6-ethyl-1,3-dimethyl-5,6-dihydro-4H-pyrazolo[5,4-b]pyridine-7-carboxylate
SMILESCCOC(=O)N1c2c(c(C)nn2C)C(N)CC1CC
InChIInChI=1S/C13H22N4O2/c1-5-9-7-10(14)11-8(3)15-16(4)12(11)17(9)13(18)19-6-2/h9-10H,5-7,14H2,1-4H3
InChIKeyXCPFEBKRXOULPY-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.87
Rot. Bonds2

About ethyl 4-amino-6-ethyl-1,3-dimethyl-5,6-dihydro-4H-pyrazolo[5,4-b]pyridine-7-carboxylate

ethyl 4-amino-6-ethyl-1,3-dimethyl-5,6-dihydro-4H-pyrazolo[5,4-b]pyridine-7-carboxylate (PubChem CID 58662435) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is ethyl 4-amino-6-ethyl-1,3-dimethyl-5,6-dihydro-4H-pyrazolo[5,4-b]pyridine-7-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-6-ethyl-1,3-dimethyl-5,6-dihydro-4H-pyrazolo[5,4-b]pyridine-7-carboxylate
PubChem CID58662435
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Nameethyl 4-amino-6-ethyl-1,3-dimethyl-5,6-dihydro-4H-pyrazolo[5,4-b]pyridine-7-carboxylate
SMILESCCOC(=O)N1c2c(c(C)nn2C)C(N)CC1CC
InChIInChI=1S/C13H22N4O2/c1-5-9-7-10(14)11-8(3)15-16(4)12(11)17(9)13(18)19-6-2/h9-10H,5-7,14H2,1-4H3
InChIKeyXCPFEBKRXOULPY-UHFFFAOYSA-N
XLogP1.87
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-6-ethyl-1,3-dimethyl-5,6-dihydro-4H-pyrazolo[5,4-b]pyridine-7-carboxylate?
The IUPAC name of ethyl 4-amino-6-ethyl-1,3-dimethyl-5,6-dihydro-4H-pyrazolo[5,4-b]pyridine-7-carboxylate (CID 58662435) is ethyl 4-amino-6-ethyl-1,3-dimethyl-5,6-dihydro-4H-pyrazolo[5,4-b]pyridine-7-carboxylate.
What is the SMILES notation for ethyl 4-amino-6-ethyl-1,3-dimethyl-5,6-dihydro-4H-pyrazolo[5,4-b]pyridine-7-carboxylate?
The canonical SMILES for ethyl 4-amino-6-ethyl-1,3-dimethyl-5,6-dihydro-4H-pyrazolo[5,4-b]pyridine-7-carboxylate is CCOC(=O)N1c2c(c(C)nn2C)C(N)CC1CC.
What is the InChIKey of ethyl 4-amino-6-ethyl-1,3-dimethyl-5,6-dihydro-4H-pyrazolo[5,4-b]pyridine-7-carboxylate?
The InChIKey is XCPFEBKRXOULPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-5-9-7-10(14)11-8(3)15-16(4)12(11)17(9)13(18)19-6-2/h9-10H,5-7,14H2,1-4H3.
What are the key properties of ethyl 4-amino-6-ethyl-1,3-dimethyl-5,6-dihydro-4H-pyrazolo[5,4-b]pyridine-7-carboxylate?
ethyl 4-amino-6-ethyl-1,3-dimethyl-5,6-dihydro-4H-pyrazolo[5,4-b]pyridine-7-carboxylate has a molecular weight of 266.34 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-6-ethyl-1,3-dimethyl-5,6-dihydro-4H-pyrazolo[5,4-b]pyridine-7-carboxylate is sourced from PubChem (CID 58662435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).