disodium;ethyl 8-hydroxy-6-oxo-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2,4,8a,9-tetrahydro-1H-imidazo[4,5-f]indolizine-7-carboxylate;hydride

C29H33N7Na2O4 — CID 173364234

About disodium;ethyl 8-hydroxy-6-oxo-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2,4,8a,9-tetrahydro-1H-imidazo[4,5-f]indolizine-7-carboxylate;hydride

disodium;ethyl 8-hydroxy-6-oxo-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2,4,8a,9-tetrahydro-1H-imidazo[4,5-f]indolizine-7-carboxylate;hydride (PubChem CID 173364234) has the molecular formula C29H33N7Na2O4 and a molecular weight of 589.61 g/mol. Its IUPAC name is disodium;ethyl 8-hydroxy-6-oxo-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2,4,8a,9-tetrahydro-1H-imidazo[4,5-f]indolizine-7-carboxylate;hydride.

Molecular Properties

• Compound Name: disodium;ethyl 8-hydroxy-6-oxo-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2,4,8a,9-tetrahydro-1H-imidazo[4,5-f]indolizine-7-carboxylate;hydride
• PubChem CID: 173364234
• Molecular Formula: C29H33N7Na2O4
• Molecular Weight: 589.61 g/mol
• Exact Mass: 589.24
• IUPAC Name: disodium;ethyl 8-hydroxy-6-oxo-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2,4,8a,9-tetrahydro-1H-imidazo[4,5-f]indolizine-7-carboxylate;hydride
• SMILES: CCCC1NC2=C(CN3C(=O)C(C(=O)OCC)=C(O)C3C2)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.[H-].[H-].[Na+].[Na+]
• InChI: InChI=1S/C29H31N7O4.2Na.2H/c1-3-7-24-30-21-14-22-26(37)25(29(39)40-4-2)28(38)36(22)16-23(21)35(24)15-17-10-12-18(13-11-17)19-8-5-6-9-20(19)27-31-33-34-32-27;;;;/h5-6,8-13,22,24,30,37H,3-4,7,14-16H2,1-2H3,(H,31,32,33,34);;;;/q;2*+1;2*-1
• InChIKey: CGHSNFOCDKNTIK-UHFFFAOYSA-N
• XLogP: -2.50
• TPSA: 136.57 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	589.61
LogP ≤ 5	-2.50
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of disodium;ethyl 8-hydroxy-6-oxo-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2,4,8a,9-tetrahydro-1H-imidazo[4,5-f]indolizine-7-carboxylate;hydride?

The IUPAC name of disodium;ethyl 8-hydroxy-6-oxo-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2,4,8a,9-tetrahydro-1H-imidazo[4,5-f]indolizine-7-carboxylate;hydride (CID 173364234) is disodium;ethyl 8-hydroxy-6-oxo-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2,4,8a,9-tetrahydro-1H-imidazo[4,5-f]indolizine-7-carboxylate;hydride.

What is the SMILES notation for disodium;ethyl 8-hydroxy-6-oxo-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2,4,8a,9-tetrahydro-1H-imidazo[4,5-f]indolizine-7-carboxylate;hydride?

The canonical SMILES for disodium;ethyl 8-hydroxy-6-oxo-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2,4,8a,9-tetrahydro-1H-imidazo[4,5-f]indolizine-7-carboxylate;hydride is CCCC1NC2=C(CN3C(=O)C(C(=O)OCC)=C(O)C3C2)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.[H-].[H-].[Na+].[Na+].

What is the InChIKey of disodium;ethyl 8-hydroxy-6-oxo-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2,4,8a,9-tetrahydro-1H-imidazo[4,5-f]indolizine-7-carboxylate;hydride?

The InChIKey is CGHSNFOCDKNTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N7O4.2Na.2H/c1-3-7-24-30-21-14-22-26(37)25(29(39)40-4-2)28(38)36(22)16-23(21)35(24)15-17-10-12-18(13-11-17)19-8-5-6-9-20(19)27-31-33-34-32-27;;;;/h5-6,8-13,22,24,30,37H,3-4,7,14-16H2,1-2H3,(H,31,32,33,34);;;;/q;2*+1;2*-1.

What are the key properties of disodium;ethyl 8-hydroxy-6-oxo-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2,4,8a,9-tetrahydro-1H-imidazo[4,5-f]indolizine-7-carboxylate;hydride?

disodium;ethyl 8-hydroxy-6-oxo-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2,4,8a,9-tetrahydro-1H-imidazo[4,5-f]indolizine-7-carboxylate;hydride has a molecular weight of 589.61 g/mol, XLogP of -2.50, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for disodium;ethyl 8-hydroxy-6-oxo-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2,4,8a,9-tetrahydro-1H-imidazo[4,5-f]indolizine-7-carboxylate;hydride is sourced from PubChem (CID 173364234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).