3-(4-ethylphenyl)-6-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

C30H28N4O2 — CID 46364779

IUPAC3-(4-ethylphenyl)-6-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCCc1ccc(-c2[nH]nc3nc(-c4ccccc4OC)cc(C(=O)NCc4ccc(C)cc4)c23)cc1
InChIInChI=1S/C30H28N4O2/c1-4-20-13-15-22(16-14-20)28-27-24(30(35)31-18-21-11-9-19(2)10-12-21)17-25(32-29(27)34-33-28)23-7-5-6-8-26(23)36-3/h5-17H,4,18H2,1-3H3,(H,31,35)(H,32,33,34)
InChIKeyLIFOPPAECHZJJQ-UHFFFAOYSA-N
MW476.58 g/mol
LogP6.10
Rot. Bonds7

About 3-(4-ethylphenyl)-6-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

3-(4-ethylphenyl)-6-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 46364779) has the molecular formula C30H28N4O2 and a molecular weight of 476.58 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-6-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(4-ethylphenyl)-6-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID46364779
Molecular FormulaC30H28N4O2
Molecular Weight476.58 g/mol
Exact Mass476.22
IUPAC Name3-(4-ethylphenyl)-6-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCCc1ccc(-c2[nH]nc3nc(-c4ccccc4OC)cc(C(=O)NCc4ccc(C)cc4)c23)cc1
InChIInChI=1S/C30H28N4O2/c1-4-20-13-15-22(16-14-20)28-27-24(30(35)31-18-21-11-9-19(2)10-12-21)17-25(32-29(27)34-33-28)23-7-5-6-8-26(23)36-3/h5-17H,4,18H2,1-3H3,(H,31,35)(H,32,33,34)
InChIKeyLIFOPPAECHZJJQ-UHFFFAOYSA-N
XLogP6.10
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.58
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-6-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of 3-(4-ethylphenyl)-6-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide (CID 46364779) is 3-(4-ethylphenyl)-6-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 3-(4-ethylphenyl)-6-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for 3-(4-ethylphenyl)-6-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide is CCc1ccc(-c2[nH]nc3nc(-c4ccccc4OC)cc(C(=O)NCc4ccc(C)cc4)c23)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-6-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is LIFOPPAECHZJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N4O2/c1-4-20-13-15-22(16-14-20)28-27-24(30(35)31-18-21-11-9-19(2)10-12-21)17-25(32-29(27)34-33-28)23-7-5-6-8-26(23)36-3/h5-17H,4,18H2,1-3H3,(H,31,35)(H,32,33,34).
What are the key properties of 3-(4-ethylphenyl)-6-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
3-(4-ethylphenyl)-6-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 476.58 g/mol, XLogP of 6.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-6-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 46364779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).