2-[3-[[2-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]amino]-2-bicyclo[2.2.1]hept-5-enyl]acetamide

C26H30N6O2 — CID 123317149

About 2-[3-[[2-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]amino]-2-bicyclo[2.2.1]hept-5-enyl]acetamide

2-[3-[[2-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]amino]-2-bicyclo[2.2.1]hept-5-enyl]acetamide (PubChem CID 123317149) has the molecular formula C26H30N6O2 and a molecular weight of 458.57 g/mol. Its IUPAC name is 2-[3-[[2-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]amino]-2-bicyclo[2.2.1]hept-5-enyl]acetamide.

Molecular Properties

• Compound Name: 2-[3-[[2-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]amino]-2-bicyclo[2.2.1]hept-5-enyl]acetamide
• PubChem CID: 123317149
• Molecular Formula: C26H30N6O2
• Molecular Weight: 458.57 g/mol
• Exact Mass: 458.24
• IUPAC Name: 2-[3-[[2-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]amino]-2-bicyclo[2.2.1]hept-5-enyl]acetamide
• SMILES: NC(=O)CC1C2C=CC(C2)C1Nc1ccnc2nc(-c3ccc(CN4CCOCC4)cc3)[nH]c12
• InChI: InChI=1S/C26H30N6O2/c27-22(33)14-20-18-5-6-19(13-18)23(20)29-21-7-8-28-26-24(21)30-25(31-26)17-3-1-16(2-4-17)15-32-9-11-34-12-10-32/h1-8,18-20,23H,9-15H2,(H2,27,33)(H2,28,29,30,31)
• InChIKey: RQLAHRUNEXPUMT-UHFFFAOYSA-N
• XLogP: 2.94
• TPSA: 109.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.57
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[2-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]amino]-2-bicyclo[2.2.1]hept-5-enyl]acetamide?

The IUPAC name of 2-[3-[[2-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]amino]-2-bicyclo[2.2.1]hept-5-enyl]acetamide (CID 123317149) is 2-[3-[[2-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]amino]-2-bicyclo[2.2.1]hept-5-enyl]acetamide.

What is the SMILES notation for 2-[3-[[2-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]amino]-2-bicyclo[2.2.1]hept-5-enyl]acetamide?

The canonical SMILES for 2-[3-[[2-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]amino]-2-bicyclo[2.2.1]hept-5-enyl]acetamide is NC(=O)CC1C2C=CC(C2)C1Nc1ccnc2nc(-c3ccc(CN4CCOCC4)cc3)[nH]c12.

What is the InChIKey of 2-[3-[[2-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]amino]-2-bicyclo[2.2.1]hept-5-enyl]acetamide?

The InChIKey is RQLAHRUNEXPUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O2/c27-22(33)14-20-18-5-6-19(13-18)23(20)29-21-7-8-28-26-24(21)30-25(31-26)17-3-1-16(2-4-17)15-32-9-11-34-12-10-32/h1-8,18-20,23H,9-15H2,(H2,27,33)(H2,28,29,30,31).

What are the key properties of 2-[3-[[2-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]amino]-2-bicyclo[2.2.1]hept-5-enyl]acetamide?

2-[3-[[2-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]amino]-2-bicyclo[2.2.1]hept-5-enyl]acetamide has a molecular weight of 458.57 g/mol, XLogP of 2.94, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[[2-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]amino]-2-bicyclo[2.2.1]hept-5-enyl]acetamide is sourced from PubChem (CID 123317149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).