N-(6-imidazol-1-yl-3-pyridinyl)-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C23H21N7OS — CID 46589765

About N-(6-imidazol-1-yl-3-pyridinyl)-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-(6-imidazol-1-yl-3-pyridinyl)-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 46589765) has the molecular formula C23H21N7OS and a molecular weight of 443.54 g/mol. Its IUPAC name is N-(6-imidazol-1-yl-3-pyridinyl)-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-(6-imidazol-1-yl-3-pyridinyl)-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 46589765
• Molecular Formula: C23H21N7OS
• Molecular Weight: 443.54 g/mol
• Exact Mass: 443.15
• IUPAC Name: N-(6-imidazol-1-yl-3-pyridinyl)-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: Cc1ccc(-c2cc(C(=O)Nc3ccc(-n4ccnc4)nc3)c3cnn(C(C)C)c3n2)s1
• InChI: InChI=1S/C23H21N7OS/c1-14(2)30-22-18(12-26-30)17(10-19(28-22)20-6-4-15(3)32-20)23(31)27-16-5-7-21(25-11-16)29-9-8-24-13-29/h4-14H,1-3H3,(H,27,31)
• InChIKey: DUEKJWYIVCUYJZ-UHFFFAOYSA-N
• XLogP: 4.88
• TPSA: 90.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.54
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-(6-imidazol-1-yl-3-pyridinyl)-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 46589765) is N-(6-imidazol-1-yl-3-pyridinyl)-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

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

The canonical SMILES for N-(6-imidazol-1-yl-3-pyridinyl)-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3ccc(-n4ccnc4)nc3)c3cnn(C(C)C)c3n2)s1.

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

The InChIKey is DUEKJWYIVCUYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7OS/c1-14(2)30-22-18(12-26-30)17(10-19(28-22)20-6-4-15(3)32-20)23(31)27-16-5-7-21(25-11-16)29-9-8-24-13-29/h4-14H,1-3H3,(H,27,31).

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

N-(6-imidazol-1-yl-3-pyridinyl)-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 443.54 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-imidazol-1-yl-3-pyridinyl)-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 46589765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).