ethyl 4-[(4-methoxyphenyl)methylamino]-1-methylpyrazolo[3,4-b]pyridine-5-carboxylate

C18H20N4O3 — CID 1481686

IUPACethyl 4-[(4-methoxyphenyl)methylamino]-1-methylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2c(cnn2C)c1NCc1ccc(OC)cc1
InChIInChI=1S/C18H20N4O3/c1-4-25-18(23)15-10-20-17-14(11-21-22(17)2)16(15)19-9-12-5-7-13(24-3)8-6-12/h5-8,10-11H,4,9H2,1-3H3,(H,19,20)
InChIKeyXBFBLDTYZLKDMO-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.77
Rot. Bonds6

About ethyl 4-[(4-methoxyphenyl)methylamino]-1-methylpyrazolo[3,4-b]pyridine-5-carboxylate

ethyl 4-[(4-methoxyphenyl)methylamino]-1-methylpyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 1481686) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is ethyl 4-[(4-methoxyphenyl)methylamino]-1-methylpyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4-methoxyphenyl)methylamino]-1-methylpyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID1481686
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Nameethyl 4-[(4-methoxyphenyl)methylamino]-1-methylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2c(cnn2C)c1NCc1ccc(OC)cc1
InChIInChI=1S/C18H20N4O3/c1-4-25-18(23)15-10-20-17-14(11-21-22(17)2)16(15)19-9-12-5-7-13(24-3)8-6-12/h5-8,10-11H,4,9H2,1-3H3,(H,19,20)
InChIKeyXBFBLDTYZLKDMO-UHFFFAOYSA-N
XLogP2.77
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-methoxyphenyl)methylamino]-1-methylpyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 4-[(4-methoxyphenyl)methylamino]-1-methylpyrazolo[3,4-b]pyridine-5-carboxylate (CID 1481686) is ethyl 4-[(4-methoxyphenyl)methylamino]-1-methylpyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-[(4-methoxyphenyl)methylamino]-1-methylpyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 4-[(4-methoxyphenyl)methylamino]-1-methylpyrazolo[3,4-b]pyridine-5-carboxylate is CCOC(=O)c1cnc2c(cnn2C)c1NCc1ccc(OC)cc1.
What is the InChIKey of ethyl 4-[(4-methoxyphenyl)methylamino]-1-methylpyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is XBFBLDTYZLKDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-4-25-18(23)15-10-20-17-14(11-21-22(17)2)16(15)19-9-12-5-7-13(24-3)8-6-12/h5-8,10-11H,4,9H2,1-3H3,(H,19,20).
What are the key properties of ethyl 4-[(4-methoxyphenyl)methylamino]-1-methylpyrazolo[3,4-b]pyridine-5-carboxylate?
ethyl 4-[(4-methoxyphenyl)methylamino]-1-methylpyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 340.38 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-methoxyphenyl)methylamino]-1-methylpyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 1481686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).