4-[(4-methoxyphenyl)methylamino]-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid

C16H16N4O3 — CID 1481689

IUPAC4-[(4-methoxyphenyl)methylamino]-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCOc1ccc(CNc2c(C(=O)O)cnc3c2cnn3C)cc1
InChIInChI=1S/C16H16N4O3/c1-20-15-12(9-19-20)14(13(8-18-15)16(21)22)17-7-10-3-5-11(23-2)6-4-10/h3-6,8-9H,7H2,1-2H3,(H,17,18)(H,21,22)
InChIKeyKYEOQOAADDUAPC-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.29
Rot. Bonds5

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

4-[(4-methoxyphenyl)methylamino]-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid (PubChem CID 1481689) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methylamino]-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methylamino]-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid
PubChem CID1481689
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name4-[(4-methoxyphenyl)methylamino]-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCOc1ccc(CNc2c(C(=O)O)cnc3c2cnn3C)cc1
InChIInChI=1S/C16H16N4O3/c1-20-15-12(9-19-20)14(13(8-18-15)16(21)22)17-7-10-3-5-11(23-2)6-4-10/h3-6,8-9H,7H2,1-2H3,(H,17,18)(H,21,22)
InChIKeyKYEOQOAADDUAPC-UHFFFAOYSA-N
XLogP2.29
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methylamino]-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The IUPAC name of 4-[(4-methoxyphenyl)methylamino]-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid (CID 1481689) is 4-[(4-methoxyphenyl)methylamino]-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 4-[(4-methoxyphenyl)methylamino]-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The canonical SMILES for 4-[(4-methoxyphenyl)methylamino]-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid is COc1ccc(CNc2c(C(=O)O)cnc3c2cnn3C)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)methylamino]-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The InChIKey is KYEOQOAADDUAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-20-15-12(9-19-20)14(13(8-18-15)16(21)22)17-7-10-3-5-11(23-2)6-4-10/h3-6,8-9H,7H2,1-2H3,(H,17,18)(H,21,22).
What are the key properties of 4-[(4-methoxyphenyl)methylamino]-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
4-[(4-methoxyphenyl)methylamino]-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid has a molecular weight of 312.33 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methylamino]-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 1481689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).