N-[(4-methoxyphenyl)methyl]-2-(3-methyl-6-oxo-1,4-diphenylpyrazolo[5,4-b]pyridin-7-yl)acetamide

C29H26N4O3 — CID 22575765

IUPACN-[(4-methoxyphenyl)methyl]-2-(3-methyl-6-oxo-1,4-diphenylpyrazolo[5,4-b]pyridin-7-yl)acetamide
SMILESCOc1ccc(CNC(=O)Cn2c(=O)cc(-c3ccccc3)c3c(C)nn(-c4ccccc4)c32)cc1
InChIInChI=1S/C29H26N4O3/c1-20-28-25(22-9-5-3-6-10-22)17-27(35)32(29(28)33(31-20)23-11-7-4-8-12-23)19-26(34)30-18-21-13-15-24(36-2)16-14-21/h3-17H,18-19H2,1-2H3,(H,30,34)
InChIKeyMQWYNJSSYFTKNQ-UHFFFAOYSA-N
MW478.55 g/mol
LogP4.49
Rot. Bonds7

About N-[(4-methoxyphenyl)methyl]-2-(3-methyl-6-oxo-1,4-diphenylpyrazolo[5,4-b]pyridin-7-yl)acetamide

N-[(4-methoxyphenyl)methyl]-2-(3-methyl-6-oxo-1,4-diphenylpyrazolo[5,4-b]pyridin-7-yl)acetamide (PubChem CID 22575765) has the molecular formula C29H26N4O3 and a molecular weight of 478.55 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-(3-methyl-6-oxo-1,4-diphenylpyrazolo[5,4-b]pyridin-7-yl)acetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-(3-methyl-6-oxo-1,4-diphenylpyrazolo[5,4-b]pyridin-7-yl)acetamide
PubChem CID22575765
Molecular FormulaC29H26N4O3
Molecular Weight478.55 g/mol
Exact Mass478.20
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-(3-methyl-6-oxo-1,4-diphenylpyrazolo[5,4-b]pyridin-7-yl)acetamide
SMILESCOc1ccc(CNC(=O)Cn2c(=O)cc(-c3ccccc3)c3c(C)nn(-c4ccccc4)c32)cc1
InChIInChI=1S/C29H26N4O3/c1-20-28-25(22-9-5-3-6-10-22)17-27(35)32(29(28)33(31-20)23-11-7-4-8-12-23)19-26(34)30-18-21-13-15-24(36-2)16-14-21/h3-17H,18-19H2,1-2H3,(H,30,34)
InChIKeyMQWYNJSSYFTKNQ-UHFFFAOYSA-N
XLogP4.49
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(3-methyl-6-oxo-1,4-diphenylpyrazolo[5,4-b]pyridin-7-yl)acetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(3-methyl-6-oxo-1,4-diphenylpyrazolo[5,4-b]pyridin-7-yl)acetamide (CID 22575765) is N-[(4-methoxyphenyl)methyl]-2-(3-methyl-6-oxo-1,4-diphenylpyrazolo[5,4-b]pyridin-7-yl)acetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-(3-methyl-6-oxo-1,4-diphenylpyrazolo[5,4-b]pyridin-7-yl)acetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-(3-methyl-6-oxo-1,4-diphenylpyrazolo[5,4-b]pyridin-7-yl)acetamide is COc1ccc(CNC(=O)Cn2c(=O)cc(-c3ccccc3)c3c(C)nn(-c4ccccc4)c32)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-(3-methyl-6-oxo-1,4-diphenylpyrazolo[5,4-b]pyridin-7-yl)acetamide?
The InChIKey is MQWYNJSSYFTKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O3/c1-20-28-25(22-9-5-3-6-10-22)17-27(35)32(29(28)33(31-20)23-11-7-4-8-12-23)19-26(34)30-18-21-13-15-24(36-2)16-14-21/h3-17H,18-19H2,1-2H3,(H,30,34).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-(3-methyl-6-oxo-1,4-diphenylpyrazolo[5,4-b]pyridin-7-yl)acetamide?
N-[(4-methoxyphenyl)methyl]-2-(3-methyl-6-oxo-1,4-diphenylpyrazolo[5,4-b]pyridin-7-yl)acetamide has a molecular weight of 478.55 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-(3-methyl-6-oxo-1,4-diphenylpyrazolo[5,4-b]pyridin-7-yl)acetamide is sourced from PubChem (CID 22575765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).