ethyl 4-amino-1-benzyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate

C17H18N4O2 — CID 10086715

IUPACethyl 4-amino-1-benzyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc2c(cnn2Cc2ccccc2)c1N
InChIInChI=1S/C17H18N4O2/c1-3-23-17(22)14-11(2)20-16-13(15(14)18)9-19-21(16)10-12-7-5-4-6-8-12/h4-9H,3,10H2,1-2H3,(H2,18,20)
InChIKeyXEDAQGNCYXAKMT-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.55
Rot. Bonds4

About ethyl 4-amino-1-benzyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate

ethyl 4-amino-1-benzyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 10086715) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is ethyl 4-amino-1-benzyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-1-benzyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID10086715
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Nameethyl 4-amino-1-benzyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc2c(cnn2Cc2ccccc2)c1N
InChIInChI=1S/C17H18N4O2/c1-3-23-17(22)14-11(2)20-16-13(15(14)18)9-19-21(16)10-12-7-5-4-6-8-12/h4-9H,3,10H2,1-2H3,(H2,18,20)
InChIKeyXEDAQGNCYXAKMT-UHFFFAOYSA-N
XLogP2.55
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-1-benzyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 4-amino-1-benzyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate (CID 10086715) is ethyl 4-amino-1-benzyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-amino-1-benzyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 4-amino-1-benzyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate is CCOC(=O)c1c(C)nc2c(cnn2Cc2ccccc2)c1N.
What is the InChIKey of ethyl 4-amino-1-benzyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is XEDAQGNCYXAKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-3-23-17(22)14-11(2)20-16-13(15(14)18)9-19-21(16)10-12-7-5-4-6-8-12/h4-9H,3,10H2,1-2H3,(H2,18,20).
What are the key properties of ethyl 4-amino-1-benzyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate?
ethyl 4-amino-1-benzyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 310.36 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-1-benzyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 10086715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).