6-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide

C22H23N5OS — CID 24590843

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

6-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 24590843) has the molecular formula C22H23N5OS and a molecular weight of 405.53 g/mol. Its IUPAC name is 6-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 6-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 24590843
• Molecular Formula: C22H23N5OS
• Molecular Weight: 405.53 g/mol
• Exact Mass: 405.16
• IUPAC Name: 6-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: Cc1cc(-c2cc(C(=O)NCc3cccnc3)c3cnn(C(C)C)c3n2)c(C)s1
• InChI: InChI=1S/C22H23N5OS/c1-13(2)27-21-19(12-25-27)18(22(28)24-11-16-6-5-7-23-10-16)9-20(26-21)17-8-14(3)29-15(17)4/h5-10,12-13H,11H2,1-4H3,(H,24,28)
• InChIKey: AUZVMMAVORIUHL-UHFFFAOYSA-N
• XLogP: 4.68
• TPSA: 72.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.53
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of 6-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 24590843) is 6-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 6-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for 6-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(-c2cc(C(=O)NCc3cccnc3)c3cnn(C(C)C)c3n2)c(C)s1.

What is the InChIKey of 6-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is AUZVMMAVORIUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5OS/c1-13(2)27-21-19(12-25-27)18(22(28)24-11-16-6-5-7-23-10-16)9-20(26-21)17-8-14(3)29-15(17)4/h5-10,12-13H,11H2,1-4H3,(H,24,28).

What are the key properties of 6-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?

6-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 405.53 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 24590843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).