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

C27H25ClN8O3 — CID 134314745

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

methyl N-[4-[2-[(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-5-methyl-4,5-dihydro-1H-imidazol-4-yl]phenyl]carbamate (PubChem CID 134314745) has the molecular formula C27H25ClN8O3 and a molecular weight of 545.00 g/mol. Its IUPAC name is methyl N-[4-[2-[(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-5-methyl-4,5-dihydro-1H-imidazol-4-yl]phenyl]carbamate.

Molecular Properties

• Compound Name: methyl N-[4-[2-[(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-5-methyl-4,5-dihydro-1H-imidazol-4-yl]phenyl]carbamate
• PubChem CID: 134314745
• Molecular Formula: C27H25ClN8O3
• Molecular Weight: 545.00 g/mol
• Exact Mass: 544.17
• IUPAC Name: methyl N-[4-[2-[(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-5-methyl-4,5-dihydro-1H-imidazol-4-yl]phenyl]carbamate
• SMILES: COC(=O)Nc1ccc(C2N=C([C@@H]3CCc4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)NC2C)cc1
• InChI: InChI=1S/C27H25ClN8O3/c1-15-25(16-3-6-19(7-4-16)31-27(38)39-2)32-26(30-15)23-10-8-20-11-17(12-24(37)36(20)23)21-13-18(28)5-9-22(21)35-14-29-33-34-35/h3-7,9,11-15,23,25H,8,10H2,1-2H3,(H,30,32)(H,31,38)/t15?,23-,25?/m0/s1
• InChIKey: LSRGFFUJMBAJDK-PULVIFSDSA-N
• XLogP: 3.94
• TPSA: 128.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	545.00
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of methyl N-[4-[2-[(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-5-methyl-4,5-dihydro-1H-imidazol-4-yl]phenyl]carbamate (CID 134314745) is methyl N-[4-[2-[(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-5-methyl-4,5-dihydro-1H-imidazol-4-yl]phenyl]carbamate.

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

The canonical SMILES for methyl N-[4-[2-[(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-5-methyl-4,5-dihydro-1H-imidazol-4-yl]phenyl]carbamate is COC(=O)Nc1ccc(C2N=C([C@@H]3CCc4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)NC2C)cc1.

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

The InChIKey is LSRGFFUJMBAJDK-PULVIFSDSA-N. The full InChI is InChI=1S/C27H25ClN8O3/c1-15-25(16-3-6-19(7-4-16)31-27(38)39-2)32-26(30-15)23-10-8-20-11-17(12-24(37)36(20)23)21-13-18(28)5-9-22(21)35-14-29-33-34-35/h3-7,9,11-15,23,25H,8,10H2,1-2H3,(H,30,32)(H,31,38)/t15?,23-,25?/m0/s1.

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

methyl N-[4-[2-[(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-5-methyl-4,5-dihydro-1H-imidazol-4-yl]phenyl]carbamate has a molecular weight of 545.00 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[4-[2-[(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-5-methyl-4,5-dihydro-1H-imidazol-4-yl]phenyl]carbamate is sourced from PubChem (CID 134314745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).