ethyl 4-amino-6-methyl-1-propylpyrazolo[3,4-b]pyridine-5-carboxylate

C13H18N4O2 — CID 10445420

IUPACethyl 4-amino-6-methyl-1-propylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCCn1ncc2c(N)c(C(=O)OCC)c(C)nc21
InChIInChI=1S/C13H18N4O2/c1-4-6-17-12-9(7-15-17)11(14)10(8(3)16-12)13(18)19-5-2/h7H,4-6H2,1-3H3,(H2,14,16)
InChIKeyOIYCGSDEGFVEKM-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.91
Rot. Bonds4

About ethyl 4-amino-6-methyl-1-propylpyrazolo[3,4-b]pyridine-5-carboxylate

ethyl 4-amino-6-methyl-1-propylpyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 10445420) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is ethyl 4-amino-6-methyl-1-propylpyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-6-methyl-1-propylpyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID10445420
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Nameethyl 4-amino-6-methyl-1-propylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCCn1ncc2c(N)c(C(=O)OCC)c(C)nc21
InChIInChI=1S/C13H18N4O2/c1-4-6-17-12-9(7-15-17)11(14)10(8(3)16-12)13(18)19-5-2/h7H,4-6H2,1-3H3,(H2,14,16)
InChIKeyOIYCGSDEGFVEKM-UHFFFAOYSA-N
XLogP1.91
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-6-methyl-1-propylpyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 4-amino-6-methyl-1-propylpyrazolo[3,4-b]pyridine-5-carboxylate (CID 10445420) is ethyl 4-amino-6-methyl-1-propylpyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-amino-6-methyl-1-propylpyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 4-amino-6-methyl-1-propylpyrazolo[3,4-b]pyridine-5-carboxylate is CCCn1ncc2c(N)c(C(=O)OCC)c(C)nc21.
What is the InChIKey of ethyl 4-amino-6-methyl-1-propylpyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is OIYCGSDEGFVEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-4-6-17-12-9(7-15-17)11(14)10(8(3)16-12)13(18)19-5-2/h7H,4-6H2,1-3H3,(H2,14,16).
What are the key properties of ethyl 4-amino-6-methyl-1-propylpyrazolo[3,4-b]pyridine-5-carboxylate?
ethyl 4-amino-6-methyl-1-propylpyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 262.31 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-6-methyl-1-propylpyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 10445420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).