lithium;3-(2-cyanoanilino)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid;hydride

C21H14LiN3O3S — CID 173035344

IUPAClithium;3-(2-cyanoanilino)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid;hydride
SMILESN#Cc1ccccc1Nc1c(C(=O)O)sc2c1ccc(=O)n2-c1ccccc1.[H-].[Li+]
InChIInChI=1S/C21H13N3O3S.Li.H/c22-12-13-6-4-5-9-16(13)23-18-15-10-11-17(25)24(14-7-2-1-3-8-14)20(15)28-19(18)21(26)27;;/h1-11,23H,(H,26,27);;/q;+1;-1
InChIKeyLESNXIKXWFIJRU-UHFFFAOYSA-N
MW395.37 g/mol
LogP1.48
Rot. Bonds4

About lithium;3-(2-cyanoanilino)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid;hydride

lithium;3-(2-cyanoanilino)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid;hydride (PubChem CID 173035344) has the molecular formula C21H14LiN3O3S and a molecular weight of 395.37 g/mol. Its IUPAC name is lithium;3-(2-cyanoanilino)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid;hydride.

Molecular Properties

Compound Namelithium;3-(2-cyanoanilino)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid;hydride
PubChem CID173035344
Molecular FormulaC21H14LiN3O3S
Molecular Weight395.37 g/mol
Exact Mass395.09
IUPAC Namelithium;3-(2-cyanoanilino)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid;hydride
SMILESN#Cc1ccccc1Nc1c(C(=O)O)sc2c1ccc(=O)n2-c1ccccc1.[H-].[Li+]
InChIInChI=1S/C21H13N3O3S.Li.H/c22-12-13-6-4-5-9-16(13)23-18-15-10-11-17(25)24(14-7-2-1-3-8-14)20(15)28-19(18)21(26)27;;/h1-11,23H,(H,26,27);;/q;+1;-1
InChIKeyLESNXIKXWFIJRU-UHFFFAOYSA-N
XLogP1.48
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.37
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-6-oxo-7-phenylthieno[2,3-b]pyridin-3-yl]amino]benzonitrile
CID 66970646
lithium;3-(4-fluoro-3-methylanilino)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid;hydride
CID 173035347
3-benzoyl-2-(morpholine-4-carbonyl)-7-phenylthieno[2,3-b]pyridin-6-one
CID 67532747
7-(4-chlorophenyl)-3-ethyl-6-oxothieno[2,3-b]pyridine-2-carboxylic acid
CID 144939795
6-oxo-7-phenyl-3-[4-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxylic acid
CID 141070337
ethyl 3-[3-(fluoromethoxy)anilino]-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 142776436
3-(6-methylpyridine-2-carbonyl)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid
CID 67533952
2-(4-methylpiperazine-1-carbonyl)-3,7-diphenylthieno[2,3-b]pyridin-6-one
CID 21083982
3-bromo-2-(3-hydroxyazetidine-1-carbonyl)-7-phenylthieno[2,3-b]pyridin-6-one
CID 66970636
2-amino-3-(4-methylbenzoyl)-7-phenylthieno[2,3-b]pyridin-6-one
CID 67533006
1-[(2-cyanophenyl)methyl]-N,N-diethyl-5-methyl-2,4-dioxo-3-phenylthieno[2,3-d]pyrimidine-6-carboxamide
CID 3414030
N-(3-benzoyl-6-oxo-7-phenylthieno[2,3-b]pyridin-2-yl)-4-methylpiperazine-1-carboxamide
CID 67531475

Frequently Asked Questions

What is the IUPAC name of lithium;3-(2-cyanoanilino)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid;hydride?
The IUPAC name of lithium;3-(2-cyanoanilino)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid;hydride (CID 173035344) is lithium;3-(2-cyanoanilino)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid;hydride.
What is the SMILES notation for lithium;3-(2-cyanoanilino)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid;hydride?
The canonical SMILES for lithium;3-(2-cyanoanilino)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid;hydride is N#Cc1ccccc1Nc1c(C(=O)O)sc2c1ccc(=O)n2-c1ccccc1.[H-].[Li+].
What is the InChIKey of lithium;3-(2-cyanoanilino)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid;hydride?
The InChIKey is LESNXIKXWFIJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N3O3S.Li.H/c22-12-13-6-4-5-9-16(13)23-18-15-10-11-17(25)24(14-7-2-1-3-8-14)20(15)28-19(18)21(26)27;;/h1-11,23H,(H,26,27);;/q;+1;-1.
What are the key properties of lithium;3-(2-cyanoanilino)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid;hydride?
lithium;3-(2-cyanoanilino)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid;hydride has a molecular weight of 395.37 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;3-(2-cyanoanilino)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid;hydride is sourced from PubChem (CID 173035344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).