N-[4-(2-cyanopropan-2-yl)phenyl]-6-cyclopropyl-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C26H24N6O — CID 86847107

About N-[4-(2-cyanopropan-2-yl)phenyl]-6-cyclopropyl-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[4-(2-cyanopropan-2-yl)phenyl]-6-cyclopropyl-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 86847107) has the molecular formula C26H24N6O and a molecular weight of 436.52 g/mol. Its IUPAC name is N-[4-(2-cyanopropan-2-yl)phenyl]-6-cyclopropyl-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-(2-cyanopropan-2-yl)phenyl]-6-cyclopropyl-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 86847107
• Molecular Formula: C26H24N6O
• Molecular Weight: 436.52 g/mol
• Exact Mass: 436.20
• IUPAC Name: N-[4-(2-cyanopropan-2-yl)phenyl]-6-cyclopropyl-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)Nc3ccc(C(C)(C)C#N)cc3)c12
• InChI: InChI=1S/C26H24N6O/c1-16-23-20(25(33)29-19-11-9-18(10-12-19)26(2,3)15-27)14-21(17-7-8-17)30-24(23)32(31-16)22-6-4-5-13-28-22/h4-6,9-14,17H,7-8H2,1-3H3,(H,29,33)
• InChIKey: DEKYOQHIUXUNIR-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 96.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.52
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-cyanopropan-2-yl)phenyl]-6-cyclopropyl-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of N-[4-(2-cyanopropan-2-yl)phenyl]-6-cyclopropyl-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 86847107) is N-[4-(2-cyanopropan-2-yl)phenyl]-6-cyclopropyl-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for N-[4-(2-cyanopropan-2-yl)phenyl]-6-cyclopropyl-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for N-[4-(2-cyanopropan-2-yl)phenyl]-6-cyclopropyl-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)Nc3ccc(C(C)(C)C#N)cc3)c12.

What is the InChIKey of N-[4-(2-cyanopropan-2-yl)phenyl]-6-cyclopropyl-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is DEKYOQHIUXUNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O/c1-16-23-20(25(33)29-19-11-9-18(10-12-19)26(2,3)15-27)14-21(17-7-8-17)30-24(23)32(31-16)22-6-4-5-13-28-22/h4-6,9-14,17H,7-8H2,1-3H3,(H,29,33).

What are the key properties of N-[4-(2-cyanopropan-2-yl)phenyl]-6-cyclopropyl-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

N-[4-(2-cyanopropan-2-yl)phenyl]-6-cyclopropyl-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 436.52 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2-cyanopropan-2-yl)phenyl]-6-cyclopropyl-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 86847107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).