N-[5-(1-azabicyclo[2.2.2]octane-3-carbonylamino)-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

C26H28N8O2 — CID 175971819

About N-[5-(1-azabicyclo[2.2.2]octane-3-carbonylamino)-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

N-[5-(1-azabicyclo[2.2.2]octane-3-carbonylamino)-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 175971819) has the molecular formula C26H28N8O2 and a molecular weight of 484.56 g/mol. Its IUPAC name is N-[5-(1-azabicyclo[2.2.2]octane-3-carbonylamino)-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: N-[5-(1-azabicyclo[2.2.2]octane-3-carbonylamino)-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
• PubChem CID: 175971819
• Molecular Formula: C26H28N8O2
• Molecular Weight: 484.56 g/mol
• Exact Mass: 484.23
• IUPAC Name: N-[5-(1-azabicyclo[2.2.2]octane-3-carbonylamino)-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
• SMILES: Cc1ncc(NC(=O)C2CN3CCC2CC3)cc1NC(=O)c1cnc2[nH]c(-c3cnn(C)c3)cc2c1
• InChI: InChI=1S/C26H28N8O2/c1-15-22(9-20(12-27-15)30-26(36)21-14-34-5-3-16(21)4-6-34)32-25(35)18-7-17-8-23(31-24(17)28-10-18)19-11-29-33(2)13-19/h7-13,16,21H,3-6,14H2,1-2H3,(H,28,31)(H,30,36)(H,32,35)
• InChIKey: QJCNOVMJVDKMDG-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 120.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.56
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-azabicyclo[2.2.2]octane-3-carbonylamino)-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?

The IUPAC name of N-[5-(1-azabicyclo[2.2.2]octane-3-carbonylamino)-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 175971819) is N-[5-(1-azabicyclo[2.2.2]octane-3-carbonylamino)-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

What is the SMILES notation for N-[5-(1-azabicyclo[2.2.2]octane-3-carbonylamino)-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?

The canonical SMILES for N-[5-(1-azabicyclo[2.2.2]octane-3-carbonylamino)-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is Cc1ncc(NC(=O)C2CN3CCC2CC3)cc1NC(=O)c1cnc2[nH]c(-c3cnn(C)c3)cc2c1.

What is the InChIKey of N-[5-(1-azabicyclo[2.2.2]octane-3-carbonylamino)-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?

The InChIKey is QJCNOVMJVDKMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N8O2/c1-15-22(9-20(12-27-15)30-26(36)21-14-34-5-3-16(21)4-6-34)32-25(35)18-7-17-8-23(31-24(17)28-10-18)19-11-29-33(2)13-19/h7-13,16,21H,3-6,14H2,1-2H3,(H,28,31)(H,30,36)(H,32,35).

What are the key properties of N-[5-(1-azabicyclo[2.2.2]octane-3-carbonylamino)-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?

N-[5-(1-azabicyclo[2.2.2]octane-3-carbonylamino)-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 484.56 g/mol, XLogP of 3.20, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(1-azabicyclo[2.2.2]octane-3-carbonylamino)-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 175971819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).