5-amino-3-cyano-4-(3-methoxy-2-methylphenyl)-1-methylpyrazolo[3,4-b]pyridine-6-carboxamide

C17H16N6O2 — CID 171820049

IUPAC5-amino-3-cyano-4-(3-methoxy-2-methylphenyl)-1-methylpyrazolo[3,4-b]pyridine-6-carboxamide
SMILESCOc1cccc(-c2c(N)c(C(N)=O)nc3c2c(C#N)nn3C)c1C
InChIInChI=1S/C17H16N6O2/c1-8-9(5-4-6-11(8)25-3)12-13-10(7-18)22-23(2)17(13)21-15(14(12)19)16(20)24/h4-6H,19H2,1-3H3,(H2,20,24)
InChIKeyCUFMZVMKJHAONV-UHFFFAOYSA-N
MW336.36 g/mol
LogP1.51
Rot. Bonds3

About 5-amino-3-cyano-4-(3-methoxy-2-methylphenyl)-1-methylpyrazolo[3,4-b]pyridine-6-carboxamide

5-amino-3-cyano-4-(3-methoxy-2-methylphenyl)-1-methylpyrazolo[3,4-b]pyridine-6-carboxamide (PubChem CID 171820049) has the molecular formula C17H16N6O2 and a molecular weight of 336.36 g/mol. Its IUPAC name is 5-amino-3-cyano-4-(3-methoxy-2-methylphenyl)-1-methylpyrazolo[3,4-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name5-amino-3-cyano-4-(3-methoxy-2-methylphenyl)-1-methylpyrazolo[3,4-b]pyridine-6-carboxamide
PubChem CID171820049
Molecular FormulaC17H16N6O2
Molecular Weight336.36 g/mol
Exact Mass336.13
IUPAC Name5-amino-3-cyano-4-(3-methoxy-2-methylphenyl)-1-methylpyrazolo[3,4-b]pyridine-6-carboxamide
SMILESCOc1cccc(-c2c(N)c(C(N)=O)nc3c2c(C#N)nn3C)c1C
InChIInChI=1S/C17H16N6O2/c1-8-9(5-4-6-11(8)25-3)12-13-10(7-18)22-23(2)17(13)21-15(14(12)19)16(20)24/h4-6H,19H2,1-3H3,(H2,20,24)
InChIKeyCUFMZVMKJHAONV-UHFFFAOYSA-N
XLogP1.51
TPSA132.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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
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-1-ethyl-4-(3-methoxy-2,6-dimethylphenyl)-3-N-methylpyrazolo[3,4-b]pyridine-3,6-dicarboxamide
CID 171819848
3-amino-6-(furan-2-yl)-4-(3-methoxy-2,6-dimethylphenyl)pyridine-2-carboxamide
CID 170346663
ethyl 3-amino-6-ethenyl-4-(3-methoxy-2-methylphenyl)-5-(methylideneamino)pyridine-2-carboxylate
CID 171645244
3-cyano-6-methyl-5,7-dihydropyrazino[2,3-d][2]benzazepine-2-carboxamide
CID 147661008
2-(2,6-difluorophenyl)-5-(2-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 68520217
6-amino-7-(3-hydroxy-2,6-dimethylphenyl)-3-methylimidazo[4,5-b]pyridine-5-carboxamide
CID 171820110
2-amino-4-(2,3-dimethoxyphenyl)-5,6-dimethylpyridine-3-carbonitrile
CID 4633482
3-cyano-1-ethyl-4-(3-methoxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-6-carboxamide
CID 171820047

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-cyano-4-(3-methoxy-2-methylphenyl)-1-methylpyrazolo[3,4-b]pyridine-6-carboxamide?
The IUPAC name of 5-amino-3-cyano-4-(3-methoxy-2-methylphenyl)-1-methylpyrazolo[3,4-b]pyridine-6-carboxamide (CID 171820049) is 5-amino-3-cyano-4-(3-methoxy-2-methylphenyl)-1-methylpyrazolo[3,4-b]pyridine-6-carboxamide.
What is the SMILES notation for 5-amino-3-cyano-4-(3-methoxy-2-methylphenyl)-1-methylpyrazolo[3,4-b]pyridine-6-carboxamide?
The canonical SMILES for 5-amino-3-cyano-4-(3-methoxy-2-methylphenyl)-1-methylpyrazolo[3,4-b]pyridine-6-carboxamide is COc1cccc(-c2c(N)c(C(N)=O)nc3c2c(C#N)nn3C)c1C.
What is the InChIKey of 5-amino-3-cyano-4-(3-methoxy-2-methylphenyl)-1-methylpyrazolo[3,4-b]pyridine-6-carboxamide?
The InChIKey is CUFMZVMKJHAONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O2/c1-8-9(5-4-6-11(8)25-3)12-13-10(7-18)22-23(2)17(13)21-15(14(12)19)16(20)24/h4-6H,19H2,1-3H3,(H2,20,24).
What are the key properties of 5-amino-3-cyano-4-(3-methoxy-2-methylphenyl)-1-methylpyrazolo[3,4-b]pyridine-6-carboxamide?
5-amino-3-cyano-4-(3-methoxy-2-methylphenyl)-1-methylpyrazolo[3,4-b]pyridine-6-carboxamide has a molecular weight of 336.36 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-cyano-4-(3-methoxy-2-methylphenyl)-1-methylpyrazolo[3,4-b]pyridine-6-carboxamide is sourced from PubChem (CID 171820049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).