ethyl 1-methyl-4-(2-phenylethylamino)pyrazolo[3,4-b]pyridine-5-carboxylate

C18H20N4O2 — CID 1481682

IUPACethyl 1-methyl-4-(2-phenylethylamino)pyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2c(cnn2C)c1NCCc1ccccc1
InChIInChI=1S/C18H20N4O2/c1-3-24-18(23)15-11-20-17-14(12-21-22(17)2)16(15)19-10-9-13-7-5-4-6-8-13/h4-8,11-12H,3,9-10H2,1-2H3,(H,19,20)
InChIKeyFZQUOIKUYLZAAV-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.80
Rot. Bonds6

About ethyl 1-methyl-4-(2-phenylethylamino)pyrazolo[3,4-b]pyridine-5-carboxylate

ethyl 1-methyl-4-(2-phenylethylamino)pyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 1481682) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is ethyl 1-methyl-4-(2-phenylethylamino)pyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-4-(2-phenylethylamino)pyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID1481682
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Nameethyl 1-methyl-4-(2-phenylethylamino)pyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2c(cnn2C)c1NCCc1ccccc1
InChIInChI=1S/C18H20N4O2/c1-3-24-18(23)15-11-20-17-14(12-21-22(17)2)16(15)19-10-9-13-7-5-4-6-8-13/h4-8,11-12H,3,9-10H2,1-2H3,(H,19,20)
InChIKeyFZQUOIKUYLZAAV-UHFFFAOYSA-N
XLogP2.80
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-4-(2-phenylethylamino)pyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 1-methyl-4-(2-phenylethylamino)pyrazolo[3,4-b]pyridine-5-carboxylate (CID 1481682) is ethyl 1-methyl-4-(2-phenylethylamino)pyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 1-methyl-4-(2-phenylethylamino)pyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 1-methyl-4-(2-phenylethylamino)pyrazolo[3,4-b]pyridine-5-carboxylate is CCOC(=O)c1cnc2c(cnn2C)c1NCCc1ccccc1.
What is the InChIKey of ethyl 1-methyl-4-(2-phenylethylamino)pyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is FZQUOIKUYLZAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-3-24-18(23)15-11-20-17-14(12-21-22(17)2)16(15)19-10-9-13-7-5-4-6-8-13/h4-8,11-12H,3,9-10H2,1-2H3,(H,19,20).
What are the key properties of ethyl 1-methyl-4-(2-phenylethylamino)pyrazolo[3,4-b]pyridine-5-carboxylate?
ethyl 1-methyl-4-(2-phenylethylamino)pyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 324.38 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-4-(2-phenylethylamino)pyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 1481682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).