N-benzyl-6-(2-methoxyphenyl)-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

C23H22N4O2 — CID 134802887

IUPACN-benzyl-6-(2-methoxyphenyl)-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)N(C)Cc2ccccc2)c2cnn(C)c2n1
InChIInChI=1S/C23H22N4O2/c1-26(15-16-9-5-4-6-10-16)23(28)18-13-20(17-11-7-8-12-21(17)29-3)25-22-19(18)14-24-27(22)2/h4-14H,15H2,1-3H3
InChIKeyRZYWNTXBURZTOC-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.92
Rot. Bonds5

About N-benzyl-6-(2-methoxyphenyl)-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

N-benzyl-6-(2-methoxyphenyl)-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134802887) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is N-benzyl-6-(2-methoxyphenyl)-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(2-methoxyphenyl)-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134802887
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC NameN-benzyl-6-(2-methoxyphenyl)-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)N(C)Cc2ccccc2)c2cnn(C)c2n1
InChIInChI=1S/C23H22N4O2/c1-26(15-16-9-5-4-6-10-16)23(28)18-13-20(17-11-7-8-12-21(17)29-3)25-22-19(18)14-24-27(22)2/h4-14H,15H2,1-3H3
InChIKeyRZYWNTXBURZTOC-UHFFFAOYSA-N
XLogP3.92
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(2-methoxyphenyl)-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-benzyl-6-(2-methoxyphenyl)-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 134802887) is N-benzyl-6-(2-methoxyphenyl)-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-benzyl-6-(2-methoxyphenyl)-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-benzyl-6-(2-methoxyphenyl)-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is COc1ccccc1-c1cc(C(=O)N(C)Cc2ccccc2)c2cnn(C)c2n1.
What is the InChIKey of N-benzyl-6-(2-methoxyphenyl)-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is RZYWNTXBURZTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-26(15-16-9-5-4-6-10-16)23(28)18-13-20(17-11-7-8-12-21(17)29-3)25-22-19(18)14-24-27(22)2/h4-14H,15H2,1-3H3.
What are the key properties of N-benzyl-6-(2-methoxyphenyl)-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-benzyl-6-(2-methoxyphenyl)-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 386.46 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(2-methoxyphenyl)-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134802887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).