N-[2-methoxy-5-(methylcarbamoyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide

C20H23N5O3 — CID 78887349

IUPACN-[2-methoxy-5-(methylcarbamoyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCNC(=O)c1ccc(OC)c(NC(=O)c2cc(C)nc3c2cnn3C(C)C)c1
InChIInChI=1S/C20H23N5O3/c1-11(2)25-18-15(10-22-25)14(8-12(3)23-18)20(27)24-16-9-13(19(26)21-4)6-7-17(16)28-5/h6-11H,1-5H3,(H,21,26)(H,24,27)
InChIKeyAGNCLLNYZMIILE-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.94
Rot. Bonds5

About N-[2-methoxy-5-(methylcarbamoyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide

N-[2-methoxy-5-(methylcarbamoyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 78887349) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-[2-methoxy-5-(methylcarbamoyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(methylcarbamoyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID78887349
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC NameN-[2-methoxy-5-(methylcarbamoyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCNC(=O)c1ccc(OC)c(NC(=O)c2cc(C)nc3c2cnn3C(C)C)c1
InChIInChI=1S/C20H23N5O3/c1-11(2)25-18-15(10-22-25)14(8-12(3)23-18)20(27)24-16-9-13(19(26)21-4)6-7-17(16)28-5/h6-11H,1-5H3,(H,21,26)(H,24,27)
InChIKeyAGNCLLNYZMIILE-UHFFFAOYSA-N
XLogP2.94
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]-4-propan-2-yloxybenzoic acid
CID 120517900
N-(4-acetamidophenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 42152657
N-(4-bromo-2-methylphenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 17489482
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 46474082
3-[(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]-4-methylbenzoic acid
CID 120522318
N-[2-(ethoxymethyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 86821819
N-(5-chloro-2-methoxyphenyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46508151
N-(4-chloro-2-methoxy-5-methylphenyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 46636123
N-(2-methoxy-5-methylphenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 41485518
6-methyl-N-(4-methyl-2-pyridinyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 42023810
N-(2-methoxy-5-methylphenyl)-6-methyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 9244561
6-methyl-1-propan-2-yl-N-[3-(propylcarbamoyl)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 78875855

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(methylcarbamoyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[2-methoxy-5-(methylcarbamoyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 78887349) is N-[2-methoxy-5-(methylcarbamoyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-methoxy-5-(methylcarbamoyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[2-methoxy-5-(methylcarbamoyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide is CNC(=O)c1ccc(OC)c(NC(=O)c2cc(C)nc3c2cnn3C(C)C)c1.
What is the InChIKey of N-[2-methoxy-5-(methylcarbamoyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is AGNCLLNYZMIILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-11(2)25-18-15(10-22-25)14(8-12(3)23-18)20(27)24-16-9-13(19(26)21-4)6-7-17(16)28-5/h6-11H,1-5H3,(H,21,26)(H,24,27).
What are the key properties of N-[2-methoxy-5-(methylcarbamoyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
N-[2-methoxy-5-(methylcarbamoyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(methylcarbamoyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 78887349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).