N-methyl-N-[phenyl(pyridin-2-yl)methyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C27H25N5OS — CID 55767468

About N-methyl-N-[phenyl(pyridin-2-yl)methyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-methyl-N-[phenyl(pyridin-2-yl)methyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55767468) has the molecular formula C27H25N5OS and a molecular weight of 467.60 g/mol. Its IUPAC name is N-methyl-N-[phenyl(pyridin-2-yl)methyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-methyl-N-[phenyl(pyridin-2-yl)methyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 55767468
• Molecular Formula: C27H25N5OS
• Molecular Weight: 467.60 g/mol
• Exact Mass: 467.18
• IUPAC Name: N-methyl-N-[phenyl(pyridin-2-yl)methyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: CC(C)n1ncc2c(C(=O)N(C)C(c3ccccc3)c3ccccn3)cc(-c3cccs3)nc21
• InChI: InChI=1S/C27H25N5OS/c1-18(2)32-26-21(17-29-32)20(16-23(30-26)24-13-9-15-34-24)27(33)31(3)25(19-10-5-4-6-11-19)22-12-7-8-14-28-22/h4-18,25H,1-3H3
• InChIKey: VRJGFAKHDBTMRU-UHFFFAOYSA-N
• XLogP: 6.00
• TPSA: 63.91 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.60
LogP ≤ 5	6.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[phenyl(pyridin-2-yl)methyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of N-methyl-N-[phenyl(pyridin-2-yl)methyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55767468) is N-methyl-N-[phenyl(pyridin-2-yl)methyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for N-methyl-N-[phenyl(pyridin-2-yl)methyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for N-methyl-N-[phenyl(pyridin-2-yl)methyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CC(C)n1ncc2c(C(=O)N(C)C(c3ccccc3)c3ccccn3)cc(-c3cccs3)nc21.

What is the InChIKey of N-methyl-N-[phenyl(pyridin-2-yl)methyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is VRJGFAKHDBTMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5OS/c1-18(2)32-26-21(17-29-32)20(16-23(30-26)24-13-9-15-34-24)27(33)31(3)25(19-10-5-4-6-11-19)22-12-7-8-14-28-22/h4-18,25H,1-3H3.

What are the key properties of N-methyl-N-[phenyl(pyridin-2-yl)methyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

N-methyl-N-[phenyl(pyridin-2-yl)methyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 467.60 g/mol, XLogP of 6.00, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-N-[phenyl(pyridin-2-yl)methyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55767468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).