N-[(2-ethoxyphenyl)methyl]-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide

C24H24N4O2 — CID 20927951

IUPACN-[(2-ethoxyphenyl)methyl]-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCCOc1ccccc1CNC(=O)c1cc(C)nc2c1c(C)nn2-c1ccccc1
InChIInChI=1S/C24H24N4O2/c1-4-30-21-13-9-8-10-18(21)15-25-24(29)20-14-16(2)26-23-22(20)17(3)27-28(23)19-11-6-5-7-12-19/h5-14H,4,15H2,1-3H3,(H,25,29)
InChIKeyHVOZWPOPZNQQGC-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.37
Rot. Bonds6

About N-[(2-ethoxyphenyl)methyl]-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide

N-[(2-ethoxyphenyl)methyl]-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 20927951) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID20927951
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC NameN-[(2-ethoxyphenyl)methyl]-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCCOc1ccccc1CNC(=O)c1cc(C)nc2c1c(C)nn2-c1ccccc1
InChIInChI=1S/C24H24N4O2/c1-4-30-21-13-9-8-10-18(21)15-25-24(29)20-14-16(2)26-23-22(20)17(3)27-28(23)19-11-6-5-7-12-19/h5-14H,4,15H2,1-3H3,(H,25,29)
InChIKeyHVOZWPOPZNQQGC-UHFFFAOYSA-N
XLogP4.37
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chloro-2-methylphenyl)-N-[(2-ethoxyphenyl)methyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20928020
N-(2,2-difluoroethyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 17026180
3,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 19588547
3,6-dimethyl-1-phenyl-N-(2-pyrazol-1-ylethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 19588387
1-(4-ethylphenyl)-3,6-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 20928099
1-(4-ethylphenyl)-N-[(4-methoxyphenyl)methyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20928125
N-(2-ethylphenyl)-1-(4-ethylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20928119
3,6-dimethyl-1-phenyl-N-(4-phenylbutan-2-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 20863832
3,6-dimethyl-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20927948
N-(4-methoxyphenyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20927920
3,6-dimethyl-1-(4-methylphenyl)-N-[(2R)-2-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 92687692
N-(2-methoxy-5-methylphenyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20927945

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 20927951) is N-[(2-ethoxyphenyl)methyl]-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide is CCOc1ccccc1CNC(=O)c1cc(C)nc2c1c(C)nn2-c1ccccc1.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is HVOZWPOPZNQQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-4-30-21-13-9-8-10-18(21)15-25-24(29)20-14-16(2)26-23-22(20)17(3)27-28(23)19-11-6-5-7-12-19/h5-14H,4,15H2,1-3H3,(H,25,29).
What are the key properties of N-[(2-ethoxyphenyl)methyl]-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide?
N-[(2-ethoxyphenyl)methyl]-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 20927951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).