6-(3-methoxyphenyl)-1-methyl-N-(2-pyridin-2-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide

C22H21N5O2 — CID 134803167

IUPAC6-(3-methoxyphenyl)-1-methyl-N-(2-pyridin-2-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NCCc3ccccn3)c3cnn(C)c3n2)c1
InChIInChI=1S/C22H21N5O2/c1-27-21-19(14-25-27)18(22(28)24-11-9-16-7-3-4-10-23-16)13-20(26-21)15-6-5-8-17(12-15)29-2/h3-8,10,12-14H,9,11H2,1-2H3,(H,24,28)
InChIKeyDAFILIJSOVXNME-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.01
Rot. Bonds6

About 6-(3-methoxyphenyl)-1-methyl-N-(2-pyridin-2-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide

6-(3-methoxyphenyl)-1-methyl-N-(2-pyridin-2-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134803167) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-1-methyl-N-(2-pyridin-2-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-1-methyl-N-(2-pyridin-2-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134803167
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name6-(3-methoxyphenyl)-1-methyl-N-(2-pyridin-2-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NCCc3ccccn3)c3cnn(C)c3n2)c1
InChIInChI=1S/C22H21N5O2/c1-27-21-19(14-25-27)18(22(28)24-11-9-16-7-3-4-10-23-16)13-20(26-21)15-6-5-8-17(12-15)29-2/h3-8,10,12-14H,9,11H2,1-2H3,(H,24,28)
InChIKeyDAFILIJSOVXNME-UHFFFAOYSA-N
XLogP3.01
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)-1-methyl-N-(2-pyridin-2-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(3-methoxyphenyl)-1-methyl-N-(2-pyridin-2-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 134803167) is 6-(3-methoxyphenyl)-1-methyl-N-(2-pyridin-2-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(3-methoxyphenyl)-1-methyl-N-(2-pyridin-2-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(3-methoxyphenyl)-1-methyl-N-(2-pyridin-2-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide is COc1cccc(-c2cc(C(=O)NCCc3ccccn3)c3cnn(C)c3n2)c1.
What is the InChIKey of 6-(3-methoxyphenyl)-1-methyl-N-(2-pyridin-2-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is DAFILIJSOVXNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-27-21-19(14-25-27)18(22(28)24-11-9-16-7-3-4-10-23-16)13-20(26-21)15-6-5-8-17(12-15)29-2/h3-8,10,12-14H,9,11H2,1-2H3,(H,24,28).
What are the key properties of 6-(3-methoxyphenyl)-1-methyl-N-(2-pyridin-2-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
6-(3-methoxyphenyl)-1-methyl-N-(2-pyridin-2-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)-1-methyl-N-(2-pyridin-2-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134803167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).