[(1S,2S,3R,4R)-3-[[6-chloro-2-(2-morpholin-4-yl-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]-2-bicyclo[2.2.1]hept-5-enyl] carbamate

C23H24ClN7O3 — CID 118643636

About [(1S,2S,3R,4R)-3-[[6-chloro-2-(2-morpholin-4-yl-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]-2-bicyclo[2.2.1]hept-5-enyl] carbamate

[(1S,2S,3R,4R)-3-[[6-chloro-2-(2-morpholin-4-yl-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]-2-bicyclo[2.2.1]hept-5-enyl] carbamate (PubChem CID 118643636) has the molecular formula C23H24ClN7O3 and a molecular weight of 481.94 g/mol. Its IUPAC name is [(1S,2S,3R,4R)-3-[[6-chloro-2-(2-morpholin-4-yl-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]-2-bicyclo[2.2.1]hept-5-enyl] carbamate.

Molecular Properties

• Compound Name: [(1S,2S,3R,4R)-3-[[6-chloro-2-(2-morpholin-4-yl-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]-2-bicyclo[2.2.1]hept-5-enyl] carbamate
• PubChem CID: 118643636
• Molecular Formula: C23H24ClN7O3
• Molecular Weight: 481.94 g/mol
• Exact Mass: 481.16
• IUPAC Name: [(1S,2S,3R,4R)-3-[[6-chloro-2-(2-morpholin-4-yl-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]-2-bicyclo[2.2.1]hept-5-enyl] carbamate
• SMILES: NC(=O)O[C@@H]1[C@H](Nc2c(Cl)cnc3nc(-c4cccnc4N4CCOCC4)[nH]c23)[C@H]2C=C[C@@H]1C2
• InChI: InChI=1S/C23H24ClN7O3/c24-15-11-27-21-18(17(15)28-16-12-3-4-13(10-12)19(16)34-23(25)32)29-20(30-21)14-2-1-5-26-22(14)31-6-8-33-9-7-31/h1-5,11-13,16,19H,6-10H2,(H2,25,32)(H2,27,28,29,30)/t12-,13+,16+,19-/m0/s1
• InChIKey: GDDUYROJZPPROU-CFNLKKDLSA-N
• XLogP: 2.96
• TPSA: 131.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.94
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(1S,2S,3R,4R)-3-[[6-chloro-2-(2-morpholin-4-yl-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]-2-bicyclo[2.2.1]hept-5-enyl] carbamate?

The IUPAC name of [(1S,2S,3R,4R)-3-[[6-chloro-2-(2-morpholin-4-yl-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]-2-bicyclo[2.2.1]hept-5-enyl] carbamate (CID 118643636) is [(1S,2S,3R,4R)-3-[[6-chloro-2-(2-morpholin-4-yl-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]-2-bicyclo[2.2.1]hept-5-enyl] carbamate.

What is the SMILES notation for [(1S,2S,3R,4R)-3-[[6-chloro-2-(2-morpholin-4-yl-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]-2-bicyclo[2.2.1]hept-5-enyl] carbamate?

The canonical SMILES for [(1S,2S,3R,4R)-3-[[6-chloro-2-(2-morpholin-4-yl-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]-2-bicyclo[2.2.1]hept-5-enyl] carbamate is NC(=O)O[C@@H]1[C@H](Nc2c(Cl)cnc3nc(-c4cccnc4N4CCOCC4)[nH]c23)[C@H]2C=C[C@@H]1C2.

What is the InChIKey of [(1S,2S,3R,4R)-3-[[6-chloro-2-(2-morpholin-4-yl-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]-2-bicyclo[2.2.1]hept-5-enyl] carbamate?

The InChIKey is GDDUYROJZPPROU-CFNLKKDLSA-N. The full InChI is InChI=1S/C23H24ClN7O3/c24-15-11-27-21-18(17(15)28-16-12-3-4-13(10-12)19(16)34-23(25)32)29-20(30-21)14-2-1-5-26-22(14)31-6-8-33-9-7-31/h1-5,11-13,16,19H,6-10H2,(H2,25,32)(H2,27,28,29,30)/t12-,13+,16+,19-/m0/s1.

What are the key properties of [(1S,2S,3R,4R)-3-[[6-chloro-2-(2-morpholin-4-yl-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]-2-bicyclo[2.2.1]hept-5-enyl] carbamate?

[(1S,2S,3R,4R)-3-[[6-chloro-2-(2-morpholin-4-yl-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]-2-bicyclo[2.2.1]hept-5-enyl] carbamate has a molecular weight of 481.94 g/mol, XLogP of 2.96, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S,2S,3R,4R)-3-[[6-chloro-2-(2-morpholin-4-yl-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]-2-bicyclo[2.2.1]hept-5-enyl] carbamate is sourced from PubChem (CID 118643636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).