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

C21H19N5O2 — CID 134790414

IUPAC6-(2-methoxyphenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)NCc2cccnc2)c2cnn(C)c2n1
InChIInChI=1S/C21H19N5O2/c1-26-20-17(13-24-26)16(21(27)23-12-14-6-5-9-22-11-14)10-18(25-20)15-7-3-4-8-19(15)28-2/h3-11,13H,12H2,1-2H3,(H,23,27)
InChIKeySCDVLBQCLGNKJS-UHFFFAOYSA-N
MW373.42 g/mol
LogP2.97
Rot. Bonds5

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

6-(2-methoxyphenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134790414) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134790414
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name6-(2-methoxyphenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)NCc2cccnc2)c2cnn(C)c2n1
InChIInChI=1S/C21H19N5O2/c1-26-20-17(13-24-26)16(21(27)23-12-14-6-5-9-22-11-14)10-18(25-20)15-7-3-4-8-19(15)28-2/h3-11,13H,12H2,1-2H3,(H,23,27)
InChIKeySCDVLBQCLGNKJS-UHFFFAOYSA-N
XLogP2.97
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(2-methoxyphenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 134790414) is 6-(2-methoxyphenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(2-methoxyphenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(2-methoxyphenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide is COc1ccccc1-c1cc(C(=O)NCc2cccnc2)c2cnn(C)c2n1.
What is the InChIKey of 6-(2-methoxyphenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is SCDVLBQCLGNKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-26-20-17(13-24-26)16(21(27)23-12-14-6-5-9-22-11-14)10-18(25-20)15-7-3-4-8-19(15)28-2/h3-11,13H,12H2,1-2H3,(H,23,27).
What are the key properties of 6-(2-methoxyphenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
6-(2-methoxyphenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 373.42 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134790414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).