5-amino-4-(3-hydroxy-2-methylphenyl)-1,3-dimethylpyrazolo[3,4-b]pyridine-6-carboxamide;formamide

C17H20N6O3 — CID 171820136

IUPAC5-amino-4-(3-hydroxy-2-methylphenyl)-1,3-dimethylpyrazolo[3,4-b]pyridine-6-carboxamide;formamide
SMILESCc1c(O)cccc1-c1c(N)c(C(N)=O)nc2c1c(C)nn2C.NC=O
InChIInChI=1S/C16H17N5O2.CH3NO/c1-7-9(5-4-6-10(7)22)12-11-8(2)20-21(3)16(11)19-14(13(12)17)15(18)23;2-1-3/h4-6,22H,17H2,1-3H3,(H2,18,23);1H,(H2,2,3)
InChIKeyLYHDRVFYFRXNHK-UHFFFAOYSA-N
MW356.39 g/mol
LogP0.74
Rot. Bonds2

About 5-amino-4-(3-hydroxy-2-methylphenyl)-1,3-dimethylpyrazolo[3,4-b]pyridine-6-carboxamide;formamide

5-amino-4-(3-hydroxy-2-methylphenyl)-1,3-dimethylpyrazolo[3,4-b]pyridine-6-carboxamide;formamide (PubChem CID 171820136) has the molecular formula C17H20N6O3 and a molecular weight of 356.39 g/mol. Its IUPAC name is 5-amino-4-(3-hydroxy-2-methylphenyl)-1,3-dimethylpyrazolo[3,4-b]pyridine-6-carboxamide;formamide.

Molecular Properties

Compound Name5-amino-4-(3-hydroxy-2-methylphenyl)-1,3-dimethylpyrazolo[3,4-b]pyridine-6-carboxamide;formamide
PubChem CID171820136
Molecular FormulaC17H20N6O3
Molecular Weight356.39 g/mol
Exact Mass356.16
IUPAC Name5-amino-4-(3-hydroxy-2-methylphenyl)-1,3-dimethylpyrazolo[3,4-b]pyridine-6-carboxamide;formamide
SMILESCc1c(O)cccc1-c1c(N)c(C(N)=O)nc2c1c(C)nn2C.NC=O
InChIInChI=1S/C16H17N5O2.CH3NO/c1-7-9(5-4-6-10(7)22)12-11-8(2)20-21(3)16(11)19-14(13(12)17)15(18)23;2-1-3/h4-6,22H,17H2,1-3H3,(H2,18,23);1H,(H2,2,3)
InChIKeyLYHDRVFYFRXNHK-UHFFFAOYSA-N
XLogP0.74
TPSA163.14 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 50.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-amino-4-(3-hydroxy-2-methylphenyl)-1-methyl-3-(methylideneamino)pyrrolo[2,3-b]pyridine-6-carboxamide
CID 174326259
5-amino-1-ethyl-4-(3-hydroxy-2-methylphenyl)pyrrolo[2,3-b]pyridine-3,6-dicarboxamide
CID 171820275
5-amino-3-cyano-4-(3-methoxy-2-methylphenyl)-1-methylpyrazolo[3,4-b]pyridine-6-carboxamide
CID 171820049
5-amino-3-cyano-1-ethyl-4-(3-hydroxy-2-methylphenyl)pyrrolo[2,3-b]pyridine-6-carboxamide
CID 171819982
5-amino-3-cyano-4-(3-hydroxy-2-methylphenyl)-2-methyl-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine-6-carboxamide
CID 171820192
6-amino-7-(3-hydroxy-2,6-dimethylphenyl)-3-methylimidazo[4,5-b]pyridine-5-carboxamide
CID 171820110
7-amino-8-(3-hydroxy-2-methylphenyl)quinoline-6-carboxamide
CID 171645303
6-amino-5-(3-hydroxy-2-methylphenyl)quinoline-7-carboxamide
CID 171645198
(2,3,6-trimethylphenyl) 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate
CID 16621373
7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylimidazo[1,2-a]pyridine-8-carboxamide
CID 177042782
3-amino-4-(1,4-dimethylpyrazol-5-yl)-1,5-naphthyridine-2-carboxamide
CID 171645050
3-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylphenol
CID 112681318

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(3-hydroxy-2-methylphenyl)-1,3-dimethylpyrazolo[3,4-b]pyridine-6-carboxamide;formamide?
The IUPAC name of 5-amino-4-(3-hydroxy-2-methylphenyl)-1,3-dimethylpyrazolo[3,4-b]pyridine-6-carboxamide;formamide (CID 171820136) is 5-amino-4-(3-hydroxy-2-methylphenyl)-1,3-dimethylpyrazolo[3,4-b]pyridine-6-carboxamide;formamide.
What is the SMILES notation for 5-amino-4-(3-hydroxy-2-methylphenyl)-1,3-dimethylpyrazolo[3,4-b]pyridine-6-carboxamide;formamide?
The canonical SMILES for 5-amino-4-(3-hydroxy-2-methylphenyl)-1,3-dimethylpyrazolo[3,4-b]pyridine-6-carboxamide;formamide is Cc1c(O)cccc1-c1c(N)c(C(N)=O)nc2c1c(C)nn2C.NC=O.
What is the InChIKey of 5-amino-4-(3-hydroxy-2-methylphenyl)-1,3-dimethylpyrazolo[3,4-b]pyridine-6-carboxamide;formamide?
The InChIKey is LYHDRVFYFRXNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2.CH3NO/c1-7-9(5-4-6-10(7)22)12-11-8(2)20-21(3)16(11)19-14(13(12)17)15(18)23;2-1-3/h4-6,22H,17H2,1-3H3,(H2,18,23);1H,(H2,2,3).
What are the key properties of 5-amino-4-(3-hydroxy-2-methylphenyl)-1,3-dimethylpyrazolo[3,4-b]pyridine-6-carboxamide;formamide?
5-amino-4-(3-hydroxy-2-methylphenyl)-1,3-dimethylpyrazolo[3,4-b]pyridine-6-carboxamide;formamide has a molecular weight of 356.39 g/mol, XLogP of 0.74, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(3-hydroxy-2-methylphenyl)-1,3-dimethylpyrazolo[3,4-b]pyridine-6-carboxamide;formamide is sourced from PubChem (CID 171820136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).