tris(3-amino-4,6-dithiophen-2-yl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide);N,N-dimethylformamide

C72H49F9N10O4S9 — CID 146121004

IUPACtris(3-amino-4,6-dithiophen-2-yl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide);N,N-dimethylformamide
SMILESCN(C)C=O.Nc1c(C(=O)Nc2cccc(C(F)(F)F)c2)sc2nc(-c3cccs3)cc(-c3cccs3)c12.Nc1c(C(=O)Nc2cccc(C(F)(F)F)c2)sc2nc(-c3cccs3)cc(-c3cccs3)c12.Nc1c(C(=O)Nc2cccc(C(F)(F)F)c2)sc2nc(-c3cccs3)cc(-c3cccs3)c12
InChIInChI=1S/3C23H14F3N3OS3.C3H7NO/c3*24-23(25,26)12-4-1-5-13(10-12)28-21(30)20-19(27)18-14(16-6-2-8-31-16)11-15(29-22(18)33-20)17-7-3-9-32-17;1-4(2)3-5/h3*1-11H,27H2,(H,28,30);3H,1-2H3
InChIKeyGBPZCDDWOLDPTN-UHFFFAOYSA-N
MW1577.83 g/mol
LogP22.52
Rot. Bonds13

About tris(3-amino-4,6-dithiophen-2-yl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide);N,N-dimethylformamide

tris(3-amino-4,6-dithiophen-2-yl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide);N,N-dimethylformamide (PubChem CID 146121004) has the molecular formula C72H49F9N10O4S9 and a molecular weight of 1577.83 g/mol. Its IUPAC name is tris(3-amino-4,6-dithiophen-2-yl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide);N,N-dimethylformamide.

Molecular Properties

Compound Nametris(3-amino-4,6-dithiophen-2-yl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide);N,N-dimethylformamide
PubChem CID146121004
Molecular FormulaC72H49F9N10O4S9
Molecular Weight1577.83 g/mol
Exact Mass1576.13
IUPAC Nametris(3-amino-4,6-dithiophen-2-yl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide);N,N-dimethylformamide
SMILESCN(C)C=O.Nc1c(C(=O)Nc2cccc(C(F)(F)F)c2)sc2nc(-c3cccs3)cc(-c3cccs3)c12.Nc1c(C(=O)Nc2cccc(C(F)(F)F)c2)sc2nc(-c3cccs3)cc(-c3cccs3)c12.Nc1c(C(=O)Nc2cccc(C(F)(F)F)c2)sc2nc(-c3cccs3)cc(-c3cccs3)c12
InChIInChI=1S/3C23H14F3N3OS3.C3H7NO/c3*24-23(25,26)12-4-1-5-13(10-12)28-21(30)20-19(27)18-14(16-6-2-8-31-16)11-15(29-22(18)33-20)17-7-3-9-32-17;1-4(2)3-5/h3*1-11H,27H2,(H,28,30);3H,1-2H3
InChIKeyGBPZCDDWOLDPTN-UHFFFAOYSA-N
XLogP22.52
TPSA224.34 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds13
Heavy Atoms104
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001577.83
LogP ≤ 522.52
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

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Related Compounds

3-amino-6-methyl-N-(3-methylphenyl)-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 3815983
[3-Amino-6-(2-thienyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl](piperidino)methanone
CID 1157656
3-Amino-N-(3-methylphenyl)-6-(2-thienyl)-4-(trifluoromethyl)thieno[2,3-B]pyridine-2-carboxamide
CID 1990776
[3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 76332834
3-amino-N-(1-phenylethyl)-6-(thiophen-2-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3623168
3-amino-6-(thiophen-2-yl)-4-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
CID 1035620
3-Amino-4,6-DI(2-thienyl)-N-[3-(trifluoromethyl)phenyl]thieno[2,3-B]pyridine-2-carboxamide
CID 1850055
3-amino-N-methyl-6-(2-thienyl)-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
CID 76282275
3-amino-N-[2-(dimethylamino)ethyl]-6-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
CID 76282506
3-(ethylamino)-6-(2-thienyl)-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
CID 86684995
3-[[2-(dimethylamino)acetyl]amino]-6-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
CID 89571838
Trimethyl-[2-oxo-2-[[6-thiophen-2-yl-2-[[3-(trifluoromethyl)phenyl]carbamoyl]thieno[2,3-b]pyridin-3-yl]amino]ethyl]azanium
CID 89571929

Frequently Asked Questions

What is the IUPAC name of tris(3-amino-4,6-dithiophen-2-yl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide);N,N-dimethylformamide?
The IUPAC name of tris(3-amino-4,6-dithiophen-2-yl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide);N,N-dimethylformamide (CID 146121004) is tris(3-amino-4,6-dithiophen-2-yl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide);N,N-dimethylformamide.
What is the SMILES notation for tris(3-amino-4,6-dithiophen-2-yl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide);N,N-dimethylformamide?
The canonical SMILES for tris(3-amino-4,6-dithiophen-2-yl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide);N,N-dimethylformamide is CN(C)C=O.Nc1c(C(=O)Nc2cccc(C(F)(F)F)c2)sc2nc(-c3cccs3)cc(-c3cccs3)c12.Nc1c(C(=O)Nc2cccc(C(F)(F)F)c2)sc2nc(-c3cccs3)cc(-c3cccs3)c12.Nc1c(C(=O)Nc2cccc(C(F)(F)F)c2)sc2nc(-c3cccs3)cc(-c3cccs3)c12.
What is the InChIKey of tris(3-amino-4,6-dithiophen-2-yl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide);N,N-dimethylformamide?
The InChIKey is GBPZCDDWOLDPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/3C23H14F3N3OS3.C3H7NO/c3*24-23(25,26)12-4-1-5-13(10-12)28-21(30)20-19(27)18-14(16-6-2-8-31-16)11-15(29-22(18)33-20)17-7-3-9-32-17;1-4(2)3-5/h3*1-11H,27H2,(H,28,30);3H,1-2H3.
What are the key properties of tris(3-amino-4,6-dithiophen-2-yl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide);N,N-dimethylformamide?
tris(3-amino-4,6-dithiophen-2-yl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide);N,N-dimethylformamide has a molecular weight of 1577.83 g/mol, XLogP of 22.52, 13 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for tris(3-amino-4,6-dithiophen-2-yl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide);N,N-dimethylformamide is sourced from PubChem (CID 146121004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).