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

C24H25ClN6O3 — CID 118643728

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

[(1R,2R,3S,4S)-3-[[6-chloro-2-(3-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]-2-bicyclo[2.2.1]hept-5-enyl] carbamate (PubChem CID 118643728) has the molecular formula C24H25ClN6O3 and a molecular weight of 480.96 g/mol. Its IUPAC name is [(1R,2R,3S,4S)-3-[[6-chloro-2-(3-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]-2-bicyclo[2.2.1]hept-5-enyl] carbamate.

Molecular Properties

• Compound Name: [(1R,2R,3S,4S)-3-[[6-chloro-2-(3-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]-2-bicyclo[2.2.1]hept-5-enyl] carbamate
• PubChem CID: 118643728
• Molecular Formula: C24H25ClN6O3
• Molecular Weight: 480.96 g/mol
• Exact Mass: 480.17
• IUPAC Name: [(1R,2R,3S,4S)-3-[[6-chloro-2-(3-morpholin-4-ylphenyl)-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(-c4cccc(N5CCOCC5)c4)[nH]c23)[C@@H]2C=C[C@H]1C2
• InChI: InChI=1S/C24H25ClN6O3/c25-17-12-27-23-20(19(17)28-18-13-4-5-14(10-13)21(18)34-24(26)32)29-22(30-23)15-2-1-3-16(11-15)31-6-8-33-9-7-31/h1-5,11-14,18,21H,6-10H2,(H2,26,32)(H2,27,28,29,30)/t13-,14+,18+,21-/m1/s1
• InChIKey: FWJOGUAJVFEWCC-VOJYLLLMSA-N
• XLogP: 3.57
• TPSA: 118.39 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.96
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of [(1R,2R,3S,4S)-3-[[6-chloro-2-(3-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]-2-bicyclo[2.2.1]hept-5-enyl] carbamate (CID 118643728) is [(1R,2R,3S,4S)-3-[[6-chloro-2-(3-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]-2-bicyclo[2.2.1]hept-5-enyl] carbamate.

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

The canonical SMILES for [(1R,2R,3S,4S)-3-[[6-chloro-2-(3-morpholin-4-ylphenyl)-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(-c4cccc(N5CCOCC5)c4)[nH]c23)[C@@H]2C=C[C@H]1C2.

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

The InChIKey is FWJOGUAJVFEWCC-VOJYLLLMSA-N. The full InChI is InChI=1S/C24H25ClN6O3/c25-17-12-27-23-20(19(17)28-18-13-4-5-14(10-13)21(18)34-24(26)32)29-22(30-23)15-2-1-3-16(11-15)31-6-8-33-9-7-31/h1-5,11-14,18,21H,6-10H2,(H2,26,32)(H2,27,28,29,30)/t13-,14+,18+,21-/m1/s1.

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

[(1R,2R,3S,4S)-3-[[6-chloro-2-(3-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]-2-bicyclo[2.2.1]hept-5-enyl] carbamate has a molecular weight of 480.96 g/mol, XLogP of 3.57, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R,2R,3S,4S)-3-[[6-chloro-2-(3-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]-2-bicyclo[2.2.1]hept-5-enyl] carbamate is sourced from PubChem (CID 118643728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).