N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide

C22H28N4O3 — CID 46474082

IUPACN-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCOc1cc(C)c(C(C)NC(=O)c2cc(C)nc3c2cnn3C(C)C)cc1OC
InChIInChI=1S/C22H28N4O3/c1-12(2)26-21-18(11-23-26)17(9-14(4)24-21)22(27)25-15(5)16-10-20(29-7)19(28-6)8-13(16)3/h8-12,15H,1-7H3,(H,25,27)
InChIKeyZERVHVLWJFGODG-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.14
Rot. Bonds6

About N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide

N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 46474082) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID46474082
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC NameN-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCOc1cc(C)c(C(C)NC(=O)c2cc(C)nc3c2cnn3C(C)C)cc1OC
InChIInChI=1S/C22H28N4O3/c1-12(2)26-21-18(11-23-26)17(9-14(4)24-21)22(27)25-15(5)16-10-20(29-7)19(28-6)8-13(16)3/h8-12,15H,1-7H3,(H,25,27)
InChIKeyZERVHVLWJFGODG-UHFFFAOYSA-N
XLogP4.14
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid
CID 120702787
2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid
CID 120523353
N-[2-methoxy-5-(methylcarbamoyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 78887349
N-[1-(4-fluorophenyl)-2-methylpropyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 42927719
6-methyl-1-propan-2-yl-N-prop-2-ynylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 43044165
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 98695287
3-methoxy-2-methyl-2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]propanoic acid
CID 120531870
6-methyl-1-propan-2-yl-N-[1-(3-sulfamoylphenyl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 78831279
N-(4-acetamidophenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 42152657
N-[2-(ethylamino)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119504676
6-methyl-N-[1-(4-methylphenyl)propyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 42927620
N,1,6-tri(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 27648180

Frequently Asked Questions

What is the IUPAC name of N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 46474082) is N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide is COc1cc(C)c(C(C)NC(=O)c2cc(C)nc3c2cnn3C(C)C)cc1OC.
What is the InChIKey of N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is ZERVHVLWJFGODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-12(2)26-21-18(11-23-26)17(9-14(4)24-21)22(27)25-15(5)16-10-20(29-7)19(28-6)8-13(16)3/h8-12,15H,1-7H3,(H,25,27).
What are the key properties of N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 46474082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).