N-[(3-chlorophenyl)methyl]-6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide

C22H19ClN4O2 — CID 134792914

IUPACN-[(3-chlorophenyl)methyl]-6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide
SMILESCOc1ccccc1-c1ccc2c(C(=O)NCc3cccc(Cl)c3)nn(C)c2n1
InChIInChI=1S/C22H19ClN4O2/c1-27-21-17(10-11-18(25-21)16-8-3-4-9-19(16)29-2)20(26-27)22(28)24-13-14-6-5-7-15(23)12-14/h3-12H,13H2,1-2H3,(H,24,28)
InChIKeyMQNVIZNNGPLQOC-UHFFFAOYSA-N
MW406.87 g/mol
LogP4.23
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide

N-[(3-chlorophenyl)methyl]-6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide (PubChem CID 134792914) has the molecular formula C22H19ClN4O2 and a molecular weight of 406.87 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide
PubChem CID134792914
Molecular FormulaC22H19ClN4O2
Molecular Weight406.87 g/mol
Exact Mass406.12
IUPAC NameN-[(3-chlorophenyl)methyl]-6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide
SMILESCOc1ccccc1-c1ccc2c(C(=O)NCc3cccc(Cl)c3)nn(C)c2n1
InChIInChI=1S/C22H19ClN4O2/c1-27-21-17(10-11-18(25-21)16-8-3-4-9-19(16)29-2)20(26-27)22(28)24-13-14-6-5-7-15(23)12-14/h3-12H,13H2,1-2H3,(H,24,28)
InChIKeyMQNVIZNNGPLQOC-UHFFFAOYSA-N
XLogP4.23
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide (CID 134792914) is N-[(3-chlorophenyl)methyl]-6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide is COc1ccccc1-c1ccc2c(C(=O)NCc3cccc(Cl)c3)nn(C)c2n1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide?
The InChIKey is MQNVIZNNGPLQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O2/c1-27-21-17(10-11-18(25-21)16-8-3-4-9-19(16)29-2)20(26-27)22(28)24-13-14-6-5-7-15(23)12-14/h3-12H,13H2,1-2H3,(H,24,28).
What are the key properties of N-[(3-chlorophenyl)methyl]-6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide?
N-[(3-chlorophenyl)methyl]-6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide has a molecular weight of 406.87 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 134792914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).