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

C22H19ClN4O2 — CID 134799965

IUPACN-[(2-chlorophenyl)methyl]-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3ccccc3Cl)c3cnn(C)c3n2)cc1
InChIInChI=1S/C22H19ClN4O2/c1-27-21-18(13-25-27)17(22(28)24-12-15-5-3-4-6-19(15)23)11-20(26-21)14-7-9-16(29-2)10-8-14/h3-11,13H,12H2,1-2H3,(H,24,28)
InChIKeyATLIPNULBGEYLO-UHFFFAOYSA-N
MW406.87 g/mol
LogP4.23
Rot. Bonds5

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

N-[(2-chlorophenyl)methyl]-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134799965) has the molecular formula C22H19ClN4O2 and a molecular weight of 406.87 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134799965
Molecular FormulaC22H19ClN4O2
Molecular Weight406.87 g/mol
Exact Mass406.12
IUPAC NameN-[(2-chlorophenyl)methyl]-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3ccccc3Cl)c3cnn(C)c3n2)cc1
InChIInChI=1S/C22H19ClN4O2/c1-27-21-18(13-25-27)17(22(28)24-12-15-5-3-4-6-19(15)23)11-20(26-21)14-7-9-16(29-2)10-8-14/h3-11,13H,12H2,1-2H3,(H,24,28)
InChIKeyATLIPNULBGEYLO-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-[(2-chlorophenyl)methyl]-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 134799965) is N-[(2-chlorophenyl)methyl]-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide is COc1ccc(-c2cc(C(=O)NCc3ccccc3Cl)c3cnn(C)c3n2)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is ATLIPNULBGEYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O2/c1-27-21-18(13-25-27)17(22(28)24-12-15-5-3-4-6-19(15)23)11-20(26-21)14-7-9-16(29-2)10-8-14/h3-11,13H,12H2,1-2H3,(H,24,28).
What are the key properties of N-[(2-chlorophenyl)methyl]-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[(2-chlorophenyl)methyl]-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-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-[(2-chlorophenyl)methyl]-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134799965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).