6-(5-methylthiophen-2-yl)-1-propan-2-yl-N-[3-(pyridine-4-carbonylamino)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide

C27H24N6O2S — CID 55610678

About 6-(5-methylthiophen-2-yl)-1-propan-2-yl-N-[3-(pyridine-4-carbonylamino)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide

6-(5-methylthiophen-2-yl)-1-propan-2-yl-N-[3-(pyridine-4-carbonylamino)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55610678) has the molecular formula C27H24N6O2S and a molecular weight of 496.60 g/mol. Its IUPAC name is 6-(5-methylthiophen-2-yl)-1-propan-2-yl-N-[3-(pyridine-4-carbonylamino)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 6-(5-methylthiophen-2-yl)-1-propan-2-yl-N-[3-(pyridine-4-carbonylamino)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 55610678
• Molecular Formula: C27H24N6O2S
• Molecular Weight: 496.60 g/mol
• Exact Mass: 496.17
• IUPAC Name: 6-(5-methylthiophen-2-yl)-1-propan-2-yl-N-[3-(pyridine-4-carbonylamino)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: Cc1ccc(-c2cc(C(=O)Nc3cccc(NC(=O)c4ccncc4)c3)c3cnn(C(C)C)c3n2)s1
• InChI: InChI=1S/C27H24N6O2S/c1-16(2)33-25-22(15-29-33)21(14-23(32-25)24-8-7-17(3)36-24)27(35)31-20-6-4-5-19(13-20)30-26(34)18-9-11-28-12-10-18/h4-16H,1-3H3,(H,30,34)(H,31,35)
• InChIKey: AOIRYPFYSJDIQY-UHFFFAOYSA-N
• XLogP: 5.95
• TPSA: 101.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.60
LogP ≤ 5	5.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 6-(5-methylthiophen-2-yl)-1-propan-2-yl-N-[3-(pyridine-4-carbonylamino)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide (CID 55610678) is 6-(5-methylthiophen-2-yl)-1-propan-2-yl-N-[3-(pyridine-4-carbonylamino)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide.

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

The canonical SMILES for 6-(5-methylthiophen-2-yl)-1-propan-2-yl-N-[3-(pyridine-4-carbonylamino)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3cccc(NC(=O)c4ccncc4)c3)c3cnn(C(C)C)c3n2)s1.

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

The InChIKey is AOIRYPFYSJDIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6O2S/c1-16(2)33-25-22(15-29-33)21(14-23(32-25)24-8-7-17(3)36-24)27(35)31-20-6-4-5-19(13-20)30-26(34)18-9-11-28-12-10-18/h4-16H,1-3H3,(H,30,34)(H,31,35).

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

6-(5-methylthiophen-2-yl)-1-propan-2-yl-N-[3-(pyridine-4-carbonylamino)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 496.60 g/mol, XLogP of 5.95, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(5-methylthiophen-2-yl)-1-propan-2-yl-N-[3-(pyridine-4-carbonylamino)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55610678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).