N-(2,4-dimethoxyphenyl)-1-(4-ethylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide

C25H26N4O3 — CID 20928116

IUPACN-(2,4-dimethoxyphenyl)-1-(4-ethylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCCc1ccc(-n2nc(C)c3c(C(=O)Nc4ccc(OC)cc4OC)cc(C)nc32)cc1
InChIInChI=1S/C25H26N4O3/c1-6-17-7-9-18(10-8-17)29-24-23(16(3)28-29)20(13-15(2)26-24)25(30)27-21-12-11-19(31-4)14-22(21)32-5/h7-14H,6H2,1-5H3,(H,27,30)
InChIKeyBIZKUQGBOIUNFQ-UHFFFAOYSA-N
MW430.51 g/mol
LogP4.87
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-1-(4-ethylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide

N-(2,4-dimethoxyphenyl)-1-(4-ethylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 20928116) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-1-(4-ethylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-1-(4-ethylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID20928116
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC NameN-(2,4-dimethoxyphenyl)-1-(4-ethylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCCc1ccc(-n2nc(C)c3c(C(=O)Nc4ccc(OC)cc4OC)cc(C)nc32)cc1
InChIInChI=1S/C25H26N4O3/c1-6-17-7-9-18(10-8-17)29-24-23(16(3)28-29)20(13-15(2)26-24)25(30)27-21-12-11-19(31-4)14-22(21)32-5/h7-14H,6H2,1-5H3,(H,27,30)
InChIKeyBIZKUQGBOIUNFQ-UHFFFAOYSA-N
XLogP4.87
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethoxyphenyl)-3,6-dimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 20928182
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
N-(3,4-dimethylphenyl)-1-(4-ethylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20928136
N-(3,4-dimethylphenyl)-1-(4-methoxyphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823026
N-(4-methoxyphenyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20927920
N-(2-methoxy-5-methylphenyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20927945
N-cyclohexyl-1-(4-ethylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20928153
1-(4-ethylphenyl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20928162
1-(4-ethylphenyl)-3,6-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 20928099
N-(3-chloro-4-methoxyphenyl)-3,6-dimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 20928218
1-(4-fluorophenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 51854324

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-1-(4-ethylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-1-(4-ethylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 20928116) is N-(2,4-dimethoxyphenyl)-1-(4-ethylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-1-(4-ethylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-1-(4-ethylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide is CCc1ccc(-n2nc(C)c3c(C(=O)Nc4ccc(OC)cc4OC)cc(C)nc32)cc1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-1-(4-ethylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is BIZKUQGBOIUNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-6-17-7-9-18(10-8-17)29-24-23(16(3)28-29)20(13-15(2)26-24)25(30)27-21-12-11-19(31-4)14-22(21)32-5/h7-14H,6H2,1-5H3,(H,27,30).
What are the key properties of N-(2,4-dimethoxyphenyl)-1-(4-ethylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
N-(2,4-dimethoxyphenyl)-1-(4-ethylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-1-(4-ethylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 20928116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).