N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide

C24H22N4O3 — CID 20928208

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1ccc(-n2nc(C)c3c(C(=O)Nc4ccc5c(c4)OCCO5)cc(C)nc32)cc1
InChIInChI=1S/C24H22N4O3/c1-14-4-7-18(8-5-14)28-23-22(16(3)27-28)19(12-15(2)25-23)24(29)26-17-6-9-20-21(13-17)31-11-10-30-20/h4-9,12-13H,10-11H2,1-3H3,(H,26,29)
InChIKeyPFOXKULINHENML-UHFFFAOYSA-N
MW414.47 g/mol
LogP4.37
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 20928208) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID20928208
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1ccc(-n2nc(C)c3c(C(=O)Nc4ccc5c(c4)OCCO5)cc(C)nc32)cc1
InChIInChI=1S/C24H22N4O3/c1-14-4-7-18(8-5-14)28-23-22(16(3)27-28)19(12-15(2)25-23)24(29)26-17-6-9-20-21(13-17)31-11-10-30-20/h4-9,12-13H,10-11H2,1-3H3,(H,26,29)
InChIKeyPFOXKULINHENML-UHFFFAOYSA-N
XLogP4.37
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,6-dimethyl-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20927948
N-(3-chloro-4-methoxyphenyl)-3,6-dimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 20928218
1-(4-fluorophenyl)-3,6-dimethyl-N-(3-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823192
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915143
N-(3,4-dimethylphenyl)-1-(4-ethylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20928136
N-[4-(1H-benzimidazol-2-yl)phenyl]-3,6-dimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 20901411
N-(4-methoxyphenyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20927920
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823250
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylphenyl)tetrazole-5-carboxamide
CID 71791342
N-(2,4-dimethoxyphenyl)-3,6-dimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 20928182
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109049446
1-(4-ethylphenyl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20928162

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide (CID 20928208) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide is Cc1ccc(-n2nc(C)c3c(C(=O)Nc4ccc5c(c4)OCCO5)cc(C)nc32)cc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is PFOXKULINHENML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-14-4-7-18(8-5-14)28-23-22(16(3)27-28)19(12-15(2)25-23)24(29)26-17-6-9-20-21(13-17)31-11-10-30-20/h4-9,12-13H,10-11H2,1-3H3,(H,26,29).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 414.47 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 20928208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).