2-(2-methoxyethoxy)ethyl N-[4-[2-[(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]phenyl]carbamate

C30H29ClN8O5 — CID 71617378

About 2-(2-methoxyethoxy)ethyl N-[4-[2-[(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]phenyl]carbamate

2-(2-methoxyethoxy)ethyl N-[4-[2-[(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]phenyl]carbamate (PubChem CID 71617378) has the molecular formula C30H29ClN8O5 and a molecular weight of 617.07 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)ethyl N-[4-[2-[(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]phenyl]carbamate.

Molecular Properties

• Compound Name: 2-(2-methoxyethoxy)ethyl N-[4-[2-[(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]phenyl]carbamate
• PubChem CID: 71617378
• Molecular Formula: C30H29ClN8O5
• Molecular Weight: 617.07 g/mol
• Exact Mass: 616.19
• IUPAC Name: 2-(2-methoxyethoxy)ethyl N-[4-[2-[(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]phenyl]carbamate
• SMILES: COCCOCCOC(=O)Nc1ccc(-c2cnc([C@@H]3CCc4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]2)cc1
• InChI: InChI=1S/C30H29ClN8O5/c1-42-10-11-43-12-13-44-30(41)34-22-5-2-19(3-6-22)25-17-32-29(35-25)27-9-7-23-14-20(15-28(40)39(23)27)24-16-21(31)4-8-26(24)38-18-33-36-37-38/h2-6,8,14-18,27H,7,9-13H2,1H3,(H,32,35)(H,34,41)/t27-/m0/s1
• InChIKey: QELCTAVSAASVRR-MHZLTWQESA-N
• XLogP: 4.28
• TPSA: 151.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	617.07
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)ethyl N-[4-[2-[(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]phenyl]carbamate?

The IUPAC name of 2-(2-methoxyethoxy)ethyl N-[4-[2-[(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]phenyl]carbamate (CID 71617378) is 2-(2-methoxyethoxy)ethyl N-[4-[2-[(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]phenyl]carbamate.

What is the SMILES notation for 2-(2-methoxyethoxy)ethyl N-[4-[2-[(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]phenyl]carbamate?

The canonical SMILES for 2-(2-methoxyethoxy)ethyl N-[4-[2-[(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]phenyl]carbamate is COCCOCCOC(=O)Nc1ccc(-c2cnc([C@@H]3CCc4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]2)cc1.

What is the InChIKey of 2-(2-methoxyethoxy)ethyl N-[4-[2-[(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]phenyl]carbamate?

The InChIKey is QELCTAVSAASVRR-MHZLTWQESA-N. The full InChI is InChI=1S/C30H29ClN8O5/c1-42-10-11-43-12-13-44-30(41)34-22-5-2-19(3-6-22)25-17-32-29(35-25)27-9-7-23-14-20(15-28(40)39(23)27)24-16-21(31)4-8-26(24)38-18-33-36-37-38/h2-6,8,14-18,27H,7,9-13H2,1H3,(H,32,35)(H,34,41)/t27-/m0/s1.

What are the key properties of 2-(2-methoxyethoxy)ethyl N-[4-[2-[(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]phenyl]carbamate?

2-(2-methoxyethoxy)ethyl N-[4-[2-[(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]phenyl]carbamate has a molecular weight of 617.07 g/mol, XLogP of 4.28, 11 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methoxyethoxy)ethyl N-[4-[2-[(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]phenyl]carbamate is sourced from PubChem (CID 71617378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).