4-(3-methoxyanilino)-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide

C15H15N5O2 — CID 11437948

IUPAC4-(3-methoxyanilino)-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCOc1cccc(Nc2c(C(N)=O)cnc3c2cnn3C)c1
InChIInChI=1S/C15H15N5O2/c1-20-15-12(8-18-20)13(11(7-17-15)14(16)21)19-9-4-3-5-10(6-9)22-2/h3-8H,1-2H3,(H2,16,21)(H,17,19)
InChIKeySLIFQRJDHANXEL-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.82
Rot. Bonds4

About 4-(3-methoxyanilino)-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide

4-(3-methoxyanilino)-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 11437948) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 4-(3-methoxyanilino)-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-(3-methoxyanilino)-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID11437948
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name4-(3-methoxyanilino)-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCOc1cccc(Nc2c(C(N)=O)cnc3c2cnn3C)c1
InChIInChI=1S/C15H15N5O2/c1-20-15-12(8-18-20)13(11(7-17-15)14(16)21)19-9-4-3-5-10(6-9)22-2/h3-8H,1-2H3,(H2,16,21)(H,17,19)
InChIKeySLIFQRJDHANXEL-UHFFFAOYSA-N
XLogP1.82
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-methoxyanilino)-1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 11292588
4-(3-methoxyanilino)-7-methyl-6-methylsulfonylquinoline-3-carboxamide
CID 11269155
1-(4-chlorophenyl)-4-(3-methoxyanilino)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 11189006
8-(dimethylsulfamoyl)-4-(3-methoxyanilino)quinoline-3-carboxamide
CID 69119423
1-(cyclopropylmethyl)-4-(3-methoxyanilino)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 139904934
4-(3-ethylanilino)-7-methoxyquinoline-3-carboxamide
CID 174510815
4-(3-methoxyanilino)-6-(4-methoxyphenyl)sulfonyl-8-methylquinoline-3-carboxamide
CID 11225327
4-(3-methoxyanilino)-6-N-(6-methoxy-3-pyridinyl)quinoline-3,6-dicarboxamide
CID 11374151
8-(1-acetylpiperidin-4-yl)sulfonyl-4-(3-methoxyanilino)quinoline-3-carboxamide
CID 69252977
4-(3-methoxyanilino)-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide
CID 59145704
ethyl 4-(3-methoxyanilino)quinoline-3-carboxylate
CID 709089
4-(3-methoxyanilino)-6-[2-(2-methylpropanoylamino)ethylsulfanyl]quinoline-3-carboxamide
CID 142969698

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyanilino)-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 4-(3-methoxyanilino)-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 11437948) is 4-(3-methoxyanilino)-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-(3-methoxyanilino)-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 4-(3-methoxyanilino)-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide is COc1cccc(Nc2c(C(N)=O)cnc3c2cnn3C)c1.
What is the InChIKey of 4-(3-methoxyanilino)-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is SLIFQRJDHANXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-20-15-12(8-18-20)13(11(7-17-15)14(16)21)19-9-4-3-5-10(6-9)22-2/h3-8H,1-2H3,(H2,16,21)(H,17,19).
What are the key properties of 4-(3-methoxyanilino)-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
4-(3-methoxyanilino)-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 297.32 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyanilino)-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 11437948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).