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

C30H35N7Na2O4 — CID 173336370

About disodium;ethyl 2-butyl-8-hydroxy-6-oxo-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 2-butyl-8-hydroxy-6-oxo-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 173336370) has the molecular formula C30H35N7Na2O4 and a molecular weight of 603.64 g/mol. Its IUPAC name is disodium;ethyl 2-butyl-8-hydroxy-6-oxo-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 2-butyl-8-hydroxy-6-oxo-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: 173336370
• Molecular Formula: C30H35N7Na2O4
• Molecular Weight: 603.64 g/mol
• Exact Mass: 603.25
• IUPAC Name: disodium;ethyl 2-butyl-8-hydroxy-6-oxo-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: CCCCC1NC2=C(CN3C(=O)C(C(=O)OCC)=C(O)C3C2)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.[H-].[H-].[Na+].[Na+]
• InChI: InChI=1S/C30H33N7O4.2Na.2H/c1-3-5-10-25-31-22-15-23-27(38)26(30(40)41-4-2)29(39)37(23)17-24(22)36(25)16-18-11-13-19(14-12-18)20-8-6-7-9-21(20)28-32-34-35-33-28;;;;/h6-9,11-14,23,25,31,38H,3-5,10,15-17H2,1-2H3,(H,32,33,34,35);;;;/q;2*+1;2*-1
• InChIKey: SYOCOMLHHCESEF-UHFFFAOYSA-N
• XLogP: -2.11
• TPSA: 136.57 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	603.64
LogP ≤ 5	-2.11
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 2-butyl-8-hydroxy-6-oxo-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 2-butyl-8-hydroxy-6-oxo-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 173336370) is disodium;ethyl 2-butyl-8-hydroxy-6-oxo-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 2-butyl-8-hydroxy-6-oxo-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 2-butyl-8-hydroxy-6-oxo-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 CCCCC1NC2=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 2-butyl-8-hydroxy-6-oxo-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 SYOCOMLHHCESEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N7O4.2Na.2H/c1-3-5-10-25-31-22-15-23-27(38)26(30(40)41-4-2)29(39)37(23)17-24(22)36(25)16-18-11-13-19(14-12-18)20-8-6-7-9-21(20)28-32-34-35-33-28;;;;/h6-9,11-14,23,25,31,38H,3-5,10,15-17H2,1-2H3,(H,32,33,34,35);;;;/q;2*+1;2*-1.

What are the key properties of disodium;ethyl 2-butyl-8-hydroxy-6-oxo-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 2-butyl-8-hydroxy-6-oxo-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 603.64 g/mol, XLogP of -2.11, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for disodium;ethyl 2-butyl-8-hydroxy-6-oxo-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 173336370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).