2-methoxyethyl-[5-[2-[(6S)-2-[5-methyl-2-(tetrazol-1-yl)phenyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-6-yl]-1H-imidazol-5-yl]-2-pyridinyl]carbamic acid

C27H26N10O4 — CID 118106514

About 2-methoxyethyl-[5-[2-[(6S)-2-[5-methyl-2-(tetrazol-1-yl)phenyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-6-yl]-1H-imidazol-5-yl]-2-pyridinyl]carbamic acid

2-methoxyethyl-[5-[2-[(6S)-2-[5-methyl-2-(tetrazol-1-yl)phenyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-6-yl]-1H-imidazol-5-yl]-2-pyridinyl]carbamic acid (PubChem CID 118106514) has the molecular formula C27H26N10O4 and a molecular weight of 554.57 g/mol. Its IUPAC name is 2-methoxyethyl-[5-[2-[(6S)-2-[5-methyl-2-(tetrazol-1-yl)phenyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-6-yl]-1H-imidazol-5-yl]-2-pyridinyl]carbamic acid.

Molecular Properties

• Compound Name: 2-methoxyethyl-[5-[2-[(6S)-2-[5-methyl-2-(tetrazol-1-yl)phenyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-6-yl]-1H-imidazol-5-yl]-2-pyridinyl]carbamic acid
• PubChem CID: 118106514
• Molecular Formula: C27H26N10O4
• Molecular Weight: 554.57 g/mol
• Exact Mass: 554.21
• IUPAC Name: 2-methoxyethyl-[5-[2-[(6S)-2-[5-methyl-2-(tetrazol-1-yl)phenyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-6-yl]-1H-imidazol-5-yl]-2-pyridinyl]carbamic acid
• SMILES: COCCN(C(=O)O)c1ccc(-c2cnc([C@@H]3CCc4nc(-c5cc(C)ccc5-n5cnnn5)cc(=O)n43)[nH]2)cn1
• InChI: InChI=1S/C27H26N10O4/c1-16-3-5-21(36-15-30-33-34-36)18(11-16)19-12-25(38)37-22(6-8-24(37)31-19)26-29-14-20(32-26)17-4-7-23(28-13-17)35(27(39)40)9-10-41-2/h3-5,7,11-15,22H,6,8-10H2,1-2H3,(H,29,32)(H,39,40)/t22-/m0/s1
• InChIKey: RVLUVRNAFHGKSP-QFIPXVFZSA-N
• XLogP: 2.65
• TPSA: 169.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	554.57
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl-[5-[2-[(6S)-2-[5-methyl-2-(tetrazol-1-yl)phenyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-6-yl]-1H-imidazol-5-yl]-2-pyridinyl]carbamic acid?

The IUPAC name of 2-methoxyethyl-[5-[2-[(6S)-2-[5-methyl-2-(tetrazol-1-yl)phenyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-6-yl]-1H-imidazol-5-yl]-2-pyridinyl]carbamic acid (CID 118106514) is 2-methoxyethyl-[5-[2-[(6S)-2-[5-methyl-2-(tetrazol-1-yl)phenyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-6-yl]-1H-imidazol-5-yl]-2-pyridinyl]carbamic acid.

What is the SMILES notation for 2-methoxyethyl-[5-[2-[(6S)-2-[5-methyl-2-(tetrazol-1-yl)phenyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-6-yl]-1H-imidazol-5-yl]-2-pyridinyl]carbamic acid?

The canonical SMILES for 2-methoxyethyl-[5-[2-[(6S)-2-[5-methyl-2-(tetrazol-1-yl)phenyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-6-yl]-1H-imidazol-5-yl]-2-pyridinyl]carbamic acid is COCCN(C(=O)O)c1ccc(-c2cnc([C@@H]3CCc4nc(-c5cc(C)ccc5-n5cnnn5)cc(=O)n43)[nH]2)cn1.

What is the InChIKey of 2-methoxyethyl-[5-[2-[(6S)-2-[5-methyl-2-(tetrazol-1-yl)phenyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-6-yl]-1H-imidazol-5-yl]-2-pyridinyl]carbamic acid?

The InChIKey is RVLUVRNAFHGKSP-QFIPXVFZSA-N. The full InChI is InChI=1S/C27H26N10O4/c1-16-3-5-21(36-15-30-33-34-36)18(11-16)19-12-25(38)37-22(6-8-24(37)31-19)26-29-14-20(32-26)17-4-7-23(28-13-17)35(27(39)40)9-10-41-2/h3-5,7,11-15,22H,6,8-10H2,1-2H3,(H,29,32)(H,39,40)/t22-/m0/s1.

What are the key properties of 2-methoxyethyl-[5-[2-[(6S)-2-[5-methyl-2-(tetrazol-1-yl)phenyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-6-yl]-1H-imidazol-5-yl]-2-pyridinyl]carbamic acid?

2-methoxyethyl-[5-[2-[(6S)-2-[5-methyl-2-(tetrazol-1-yl)phenyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-6-yl]-1H-imidazol-5-yl]-2-pyridinyl]carbamic acid has a molecular weight of 554.57 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxyethyl-[5-[2-[(6S)-2-[5-methyl-2-(tetrazol-1-yl)phenyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-6-yl]-1H-imidazol-5-yl]-2-pyridinyl]carbamic acid is sourced from PubChem (CID 118106514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).