3-amino-N-(2,2-diphenylethyl)-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;ethyl 3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate

C62H45F9N10O5S4 — CID 162143231

IUPAC3-amino-N-(2,2-diphenylethyl)-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;ethyl 3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1sc2nc(-c3cccs3)cc(C(F)(F)F)c2c1N.Cc1cc(NC(=O)c2sc3nc(-c4ccccc4)cc(C(F)(F)F)c3c2N)no1.Nc1c(C(=O)NCC(c2ccccc2)c2ccccc2)sc2nc(-c3ccncc3)cc(C(F)(F)F)c12
InChIInChI=1S/C28H21F3N4OS.C19H13F3N4O2S.C15H11F3N2O2S2/c29-28(30,31)21-15-22(19-11-13-33-14-12-19)35-27-23(21)24(32)25(37-27)26(36)34-16-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18;1-9-7-13(26-28-9)25-17(27)16-15(23)14-11(19(20,21)22)8-12(24-18(14)29-16)10-5-3-2-4-6-10;1-2-22-14(21)12-11(19)10-7(15(16,17)18)6-8(20-13(10)24-12)9-4-3-5-23-9/h1-15,20H,16,32H2,(H,34,36);2-8H,23H2,1H3,(H,25,26,27);3-6H,2,19H2,1H3
InChIKeyZKEZSLBFMFLEKJ-UHFFFAOYSA-N
MW1309.36 g/mol
LogP16.44
Rot. Bonds12

About 3-amino-N-(2,2-diphenylethyl)-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;ethyl 3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate

3-amino-N-(2,2-diphenylethyl)-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;ethyl 3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate (PubChem CID 162143231) has the molecular formula C62H45F9N10O5S4 and a molecular weight of 1309.36 g/mol. Its IUPAC name is 3-amino-N-(2,2-diphenylethyl)-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;ethyl 3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Name3-amino-N-(2,2-diphenylethyl)-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;ethyl 3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate
PubChem CID162143231
Molecular FormulaC62H45F9N10O5S4
Molecular Weight1309.36 g/mol
Exact Mass1308.23
IUPAC Name3-amino-N-(2,2-diphenylethyl)-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;ethyl 3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1sc2nc(-c3cccs3)cc(C(F)(F)F)c2c1N.Cc1cc(NC(=O)c2sc3nc(-c4ccccc4)cc(C(F)(F)F)c3c2N)no1.Nc1c(C(=O)NCC(c2ccccc2)c2ccccc2)sc2nc(-c3ccncc3)cc(C(F)(F)F)c12
InChIInChI=1S/C28H21F3N4OS.C19H13F3N4O2S.C15H11F3N2O2S2/c29-28(30,31)21-15-22(19-11-13-33-14-12-19)35-27-23(21)24(32)25(37-27)26(36)34-16-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18;1-9-7-13(26-28-9)25-17(27)16-15(23)14-11(19(20,21)22)8-12(24-18(14)29-16)10-5-3-2-4-6-10;1-2-22-14(21)12-11(19)10-7(15(16,17)18)6-8(20-13(10)24-12)9-4-3-5-23-9/h1-15,20H,16,32H2,(H,34,36);2-8H,23H2,1H3,(H,25,26,27);3-6H,2,19H2,1H3
InChIKeyZKEZSLBFMFLEKJ-UHFFFAOYSA-N
XLogP16.44
TPSA240.15 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds12
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001309.36
LogP ≤ 516.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Analyze 3-amino-N-(2,2-diphenylethyl)-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;ethyl 3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate with MolForge

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Related Compounds

3-amino-6-(4-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 15994595
3-amino-N-(4-methylphenyl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1040522
3-amino-N-(4-ethoxyphenyl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1341827
3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 2254947
3-amino-N-(2,3-dimethylphenyl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1022441
methyl 3-amino-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate
CID 1086462
4-[[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]benzoic acid
CID 54579808
2-[[3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]ethyl-dimethylazanium
CID 7349473
3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-(2-methylpropyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 56699908
3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid
CID 712459
3-amino-6-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 87048301
ethyl 2-[[3-amino-4-(4-chlorophenyl)-6-phenylthieno[2,3-b]pyridine-2-carbonyl]amino]-4-phenylthiophene-3-carboxylate
CID 3165825

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,2-diphenylethyl)-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;ethyl 3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of 3-amino-N-(2,2-diphenylethyl)-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;ethyl 3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate (CID 162143231) is 3-amino-N-(2,2-diphenylethyl)-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;ethyl 3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for 3-amino-N-(2,2-diphenylethyl)-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;ethyl 3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for 3-amino-N-(2,2-diphenylethyl)-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;ethyl 3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate is CCOC(=O)c1sc2nc(-c3cccs3)cc(C(F)(F)F)c2c1N.Cc1cc(NC(=O)c2sc3nc(-c4ccccc4)cc(C(F)(F)F)c3c2N)no1.Nc1c(C(=O)NCC(c2ccccc2)c2ccccc2)sc2nc(-c3ccncc3)cc(C(F)(F)F)c12.
What is the InChIKey of 3-amino-N-(2,2-diphenylethyl)-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;ethyl 3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is ZKEZSLBFMFLEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21F3N4OS.C19H13F3N4O2S.C15H11F3N2O2S2/c29-28(30,31)21-15-22(19-11-13-33-14-12-19)35-27-23(21)24(32)25(37-27)26(36)34-16-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18;1-9-7-13(26-28-9)25-17(27)16-15(23)14-11(19(20,21)22)8-12(24-18(14)29-16)10-5-3-2-4-6-10;1-2-22-14(21)12-11(19)10-7(15(16,17)18)6-8(20-13(10)24-12)9-4-3-5-23-9/h1-15,20H,16,32H2,(H,34,36);2-8H,23H2,1H3,(H,25,26,27);3-6H,2,19H2,1H3.
What are the key properties of 3-amino-N-(2,2-diphenylethyl)-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;ethyl 3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate?
3-amino-N-(2,2-diphenylethyl)-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;ethyl 3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 1309.36 g/mol, XLogP of 16.44, 12 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,2-diphenylethyl)-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;ethyl 3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 162143231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).