sodium;2-ethyl-4-oxo-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]thieno[2,3-b]pyridine-5-carboxylic acid;hydride

C24H20N5NaO3S — CID 173336487

IUPACsodium;2-ethyl-4-oxo-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]thieno[2,3-b]pyridine-5-carboxylic acid;hydride
SMILESCCc1cc2c(=O)c(C(=O)O)cn(Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)c2s1.[H-].[Na+]
InChIInChI=1S/C24H19N5O3S.Na.H/c1-2-16-11-19-21(30)20(24(31)32)13-29(23(19)33-16)12-14-7-9-15(10-8-14)17-5-3-4-6-18(17)22-25-27-28-26-22;;/h3-11,13H,2,12H2,1H3,(H,31,32)(H,25,26,27,28);;/q;+1;-1
InChIKeyPQHFVABABLCTKA-UHFFFAOYSA-N
MW481.51 g/mol
LogP1.34
Rot. Bonds6

About sodium;2-ethyl-4-oxo-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]thieno[2,3-b]pyridine-5-carboxylic acid;hydride

sodium;2-ethyl-4-oxo-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]thieno[2,3-b]pyridine-5-carboxylic acid;hydride (PubChem CID 173336487) has the molecular formula C24H20N5NaO3S and a molecular weight of 481.51 g/mol. Its IUPAC name is sodium;2-ethyl-4-oxo-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]thieno[2,3-b]pyridine-5-carboxylic acid;hydride.

Molecular Properties

Compound Namesodium;2-ethyl-4-oxo-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]thieno[2,3-b]pyridine-5-carboxylic acid;hydride
PubChem CID173336487
Molecular FormulaC24H20N5NaO3S
Molecular Weight481.51 g/mol
Exact Mass481.12
IUPAC Namesodium;2-ethyl-4-oxo-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]thieno[2,3-b]pyridine-5-carboxylic acid;hydride
SMILESCCc1cc2c(=O)c(C(=O)O)cn(Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)c2s1.[H-].[Na+]
InChIInChI=1S/C24H19N5O3S.Na.H/c1-2-16-11-19-21(30)20(24(31)32)13-29(23(19)33-16)12-14-7-9-15(10-8-14)17-5-3-4-6-18(17)22-25-27-28-26-22;;/h3-11,13H,2,12H2,1H3,(H,31,32)(H,25,26,27,28);;/q;+1;-1
InChIKeyPQHFVABABLCTKA-UHFFFAOYSA-N
XLogP1.34
TPSA113.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.51
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-butyl-4-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyridine-3-carboxylic acid
CID 67791580
ethyl 7-[[4-(2-cyanophenyl)phenyl]methyl]-2-ethyl-4-oxothieno[2,3-b]pyridine-5-carboxylate
CID 139652036
[3-carboxyoxy-4-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinolin-8-yl] hydrogen carbonate
CID 23212354
2-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]furan-3-carboxylic acid
CID 23363057
2-(2,2-dimethylpropanoylimino)-5-ethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-thiazole-4-carboxylic acid
CID 19029460
potassium;2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid;hydride
CID 173358745
2-(2-chlorobenzoyl)imino-5-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-thiazole-4-carboxylic acid
CID 54529707
potassium 2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
CID 19742967
N-[5-ethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3,4-thiadiazol-2-ylidene]-2-fluorobenzamide
CID 19029619
2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid
CID 2541
2-ethyl-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,5-dihydropyrazole-4-carboxylic acid
CID 67756605
CID 68920920
CID 68920920

Frequently Asked Questions

What is the IUPAC name of sodium;2-ethyl-4-oxo-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]thieno[2,3-b]pyridine-5-carboxylic acid;hydride?
The IUPAC name of sodium;2-ethyl-4-oxo-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]thieno[2,3-b]pyridine-5-carboxylic acid;hydride (CID 173336487) is sodium;2-ethyl-4-oxo-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]thieno[2,3-b]pyridine-5-carboxylic acid;hydride.
What is the SMILES notation for sodium;2-ethyl-4-oxo-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]thieno[2,3-b]pyridine-5-carboxylic acid;hydride?
The canonical SMILES for sodium;2-ethyl-4-oxo-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]thieno[2,3-b]pyridine-5-carboxylic acid;hydride is CCc1cc2c(=O)c(C(=O)O)cn(Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)c2s1.[H-].[Na+].
What is the InChIKey of sodium;2-ethyl-4-oxo-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]thieno[2,3-b]pyridine-5-carboxylic acid;hydride?
The InChIKey is PQHFVABABLCTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O3S.Na.H/c1-2-16-11-19-21(30)20(24(31)32)13-29(23(19)33-16)12-14-7-9-15(10-8-14)17-5-3-4-6-18(17)22-25-27-28-26-22;;/h3-11,13H,2,12H2,1H3,(H,31,32)(H,25,26,27,28);;/q;+1;-1.
What are the key properties of sodium;2-ethyl-4-oxo-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]thieno[2,3-b]pyridine-5-carboxylic acid;hydride?
sodium;2-ethyl-4-oxo-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]thieno[2,3-b]pyridine-5-carboxylic acid;hydride has a molecular weight of 481.51 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-ethyl-4-oxo-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]thieno[2,3-b]pyridine-5-carboxylic acid;hydride is sourced from PubChem (CID 173336487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).