sodium;3-amino-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-methylsulfinylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-[4-[(2-hydroxy-2-pyridin-2-ylethyl)amino]piperidin-1-yl]-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(4-oxopiperidin-1-yl)-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;2-amino-1-pyridin-2-ylethanol;hydride;2,2,2-trifluoroethanol

C79H93F12N20NaO16S5 — CID 161411493

IUPACsodium;3-amino-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-methylsulfinylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-[4-[(2-hydroxy-2-pyridin-2-ylethyl)amino]piperidin-1-yl]-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(4-oxopiperidin-1-yl)-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;2-amino-1-pyridin-2-ylethanol;hydride;2,2,2-trifluoroethanol
SMILESCS(=O)c1cc(N2CCC3(CC2)OCCO3)nc2sc(C(N)=O)c(N)c12.NC(=O)c1sc2nc(N3CCC(=O)CC3)cc(OCC(F)(F)F)c2c1N.NC(=O)c1sc2nc(N3CCC(NCC(O)c4ccccn4)CC3)cc(OCC(F)(F)F)c2c1N.NC(=O)c1sc2nc(N3CCC4(CC3)OCCO4)cc(OCC(F)(F)F)c2c1N.NCC(O)c1ccccn1.OCC(F)(F)F.[H-].[Na+]
InChIInChI=1S/C22H25F3N6O3S.C17H19F3N4O4S.C16H20N4O4S2.C15H15F3N4O3S.C7H10N2O.C2H3F3O.Na.H/c23-22(24,25)11-34-15-9-16(30-21-17(15)18(26)19(35-21)20(27)33)31-7-4-12(5-8-31)29-10-14(32)13-3-1-2-6-28-13;18-17(19,20)8-26-9-7-10(23-15-11(9)12(21)13(29-15)14(22)25)24-3-1-16(2-4-24)27-5-6-28-16;1-26(22)9-8-10(19-15-11(9)12(17)13(25-15)14(18)21)20-4-2-16(3-5-20)23-6-7-24-16;16-15(17,18)6-25-8-5-9(22-3-1-7(23)2-4-22)21-14-10(8)11(19)12(26-14)13(20)24;8-5-7(10)6-3-1-2-4-9-6;3-2(4,5)1-6;;/h1-3,6,9,12,14,29,32H,4-5,7-8,10-11,26H2,(H2,27,33);7H,1-6,8,21H2,(H2,22,25);8H,2-7,17H2,1H3,(H2,18,21);5H,1-4,6,19H2,(H2,20,24);1-4,7,10H,5,8H2;6H,1H2;;/q;;;;;;+1;-1
InChIKeyYDXDUAURMCAMIP-UHFFFAOYSA-N
MW1990.04 g/mol
LogP5.74
Rot. Bonds21

About sodium;3-amino-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-methylsulfinylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-[4-[(2-hydroxy-2-pyridin-2-ylethyl)amino]piperidin-1-yl]-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(4-oxopiperidin-1-yl)-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;2-amino-1-pyridin-2-ylethanol;hydride;2,2,2-trifluoroethanol

sodium;3-amino-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-methylsulfinylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-[4-[(2-hydroxy-2-pyridin-2-ylethyl)amino]piperidin-1-yl]-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(4-oxopiperidin-1-yl)-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;2-amino-1-pyridin-2-ylethanol;hydride;2,2,2-trifluoroethanol (PubChem CID 161411493) has the molecular formula C79H93F12N20NaO16S5 and a molecular weight of 1990.04 g/mol. Its IUPAC name is sodium;3-amino-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-methylsulfinylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-[4-[(2-hydroxy-2-pyridin-2-ylethyl)amino]piperidin-1-yl]-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(4-oxopiperidin-1-yl)-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;2-amino-1-pyridin-2-ylethanol;hydride;2,2,2-trifluoroethanol.

Molecular Properties

Compound Namesodium;3-amino-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-methylsulfinylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-[4-[(2-hydroxy-2-pyridin-2-ylethyl)amino]piperidin-1-yl]-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(4-oxopiperidin-1-yl)-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;2-amino-1-pyridin-2-ylethanol;hydride;2,2,2-trifluoroethanol
PubChem CID161411493
Molecular FormulaC79H93F12N20NaO16S5
Molecular Weight1990.04 g/mol
Exact Mass1988.54
IUPAC Namesodium;3-amino-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-methylsulfinylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-[4-[(2-hydroxy-2-pyridin-2-ylethyl)amino]piperidin-1-yl]-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(4-oxopiperidin-1-yl)-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;2-amino-1-pyridin-2-ylethanol;hydride;2,2,2-trifluoroethanol
SMILESCS(=O)c1cc(N2CCC3(CC2)OCCO3)nc2sc(C(N)=O)c(N)c12.NC(=O)c1sc2nc(N3CCC(=O)CC3)cc(OCC(F)(F)F)c2c1N.NC(=O)c1sc2nc(N3CCC(NCC(O)c4ccccn4)CC3)cc(OCC(F)(F)F)c2c1N.NC(=O)c1sc2nc(N3CCC4(CC3)OCCO4)cc(OCC(F)(F)F)c2c1N.NCC(O)c1ccccn1.OCC(F)(F)F.[H-].[Na+]
InChIInChI=1S/C22H25F3N6O3S.C17H19F3N4O4S.C16H20N4O4S2.C15H15F3N4O3S.C7H10N2O.C2H3F3O.Na.H/c23-22(24,25)11-34-15-9-16(30-21-17(15)18(26)19(35-21)20(27)33)31-7-4-12(5-8-31)29-10-14(32)13-3-1-2-6-28-13;18-17(19,20)8-26-9-7-10(23-15-11(9)12(21)13(29-15)14(22)25)24-3-1-16(2-4-24)27-5-6-28-16;1-26(22)9-8-10(19-15-11(9)12(17)13(25-15)14(18)21)20-4-2-16(3-5-20)23-6-7-24-16;16-15(17,18)6-25-8-5-9(22-3-1-7(23)2-4-22)21-14-10(8)11(19)12(26-14)13(20)24;8-5-7(10)6-3-1-2-4-9-6;3-2(4,5)1-6;;/h1-3,6,9,12,14,29,32H,4-5,7-8,10-11,26H2,(H2,27,33);7H,1-6,8,21H2,(H2,22,25);8H,2-7,17H2,1H3,(H2,18,21);5H,1-4,6,19H2,(H2,20,24);1-4,7,10H,5,8H2;6H,1H2;;/q;;;;;;+1;-1
InChIKeyYDXDUAURMCAMIP-UHFFFAOYSA-N
XLogP5.74
TPSA564.23 Ų
H-Bond Donors13
H-Bond Acceptors36
Rotatable Bonds21
Heavy Atoms133
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001990.04
LogP ≤ 55.74
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1036

Analyze sodium;3-amino-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-methylsulfinylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-[4-[(2-hydroxy-2-pyridin-2-ylethyl)amino]piperidin-1-yl]-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(4-oxopiperidin-1-yl)-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;2-amino-1-pyridin-2-ylethanol;hydride;2,2,2-trifluoroethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of sodium;3-amino-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-methylsulfinylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-[4-[(2-hydroxy-2-pyridin-2-ylethyl)amino]piperidin-1-yl]-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(4-oxopiperidin-1-yl)-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;2-amino-1-pyridin-2-ylethanol;hydride;2,2,2-trifluoroethanol?
The IUPAC name of sodium;3-amino-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-methylsulfinylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-[4-[(2-hydroxy-2-pyridin-2-ylethyl)amino]piperidin-1-yl]-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(4-oxopiperidin-1-yl)-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;2-amino-1-pyridin-2-ylethanol;hydride;2,2,2-trifluoroethanol (CID 161411493) is sodium;3-amino-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-methylsulfinylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-[4-[(2-hydroxy-2-pyridin-2-ylethyl)amino]piperidin-1-yl]-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(4-oxopiperidin-1-yl)-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;2-amino-1-pyridin-2-ylethanol;hydride;2,2,2-trifluoroethanol.
What is the SMILES notation for sodium;3-amino-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-methylsulfinylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-[4-[(2-hydroxy-2-pyridin-2-ylethyl)amino]piperidin-1-yl]-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(4-oxopiperidin-1-yl)-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;2-amino-1-pyridin-2-ylethanol;hydride;2,2,2-trifluoroethanol?
The canonical SMILES for sodium;3-amino-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-methylsulfinylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-[4-[(2-hydroxy-2-pyridin-2-ylethyl)amino]piperidin-1-yl]-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(4-oxopiperidin-1-yl)-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;2-amino-1-pyridin-2-ylethanol;hydride;2,2,2-trifluoroethanol is CS(=O)c1cc(N2CCC3(CC2)OCCO3)nc2sc(C(N)=O)c(N)c12.NC(=O)c1sc2nc(N3CCC(=O)CC3)cc(OCC(F)(F)F)c2c1N.NC(=O)c1sc2nc(N3CCC(NCC(O)c4ccccn4)CC3)cc(OCC(F)(F)F)c2c1N.NC(=O)c1sc2nc(N3CCC4(CC3)OCCO4)cc(OCC(F)(F)F)c2c1N.NCC(O)c1ccccn1.OCC(F)(F)F.[H-].[Na+].
What is the InChIKey of sodium;3-amino-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-methylsulfinylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-[4-[(2-hydroxy-2-pyridin-2-ylethyl)amino]piperidin-1-yl]-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(4-oxopiperidin-1-yl)-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;2-amino-1-pyridin-2-ylethanol;hydride;2,2,2-trifluoroethanol?
The InChIKey is YDXDUAURMCAMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N6O3S.C17H19F3N4O4S.C16H20N4O4S2.C15H15F3N4O3S.C7H10N2O.C2H3F3O.Na.H/c23-22(24,25)11-34-15-9-16(30-21-17(15)18(26)19(35-21)20(27)33)31-7-4-12(5-8-31)29-10-14(32)13-3-1-2-6-28-13;18-17(19,20)8-26-9-7-10(23-15-11(9)12(21)13(29-15)14(22)25)24-3-1-16(2-4-24)27-5-6-28-16;1-26(22)9-8-10(19-15-11(9)12(17)13(25-15)14(18)21)20-4-2-16(3-5-20)23-6-7-24-16;16-15(17,18)6-25-8-5-9(22-3-1-7(23)2-4-22)21-14-10(8)11(19)12(26-14)13(20)24;8-5-7(10)6-3-1-2-4-9-6;3-2(4,5)1-6;;/h1-3,6,9,12,14,29,32H,4-5,7-8,10-11,26H2,(H2,27,33);7H,1-6,8,21H2,(H2,22,25);8H,2-7,17H2,1H3,(H2,18,21);5H,1-4,6,19H2,(H2,20,24);1-4,7,10H,5,8H2;6H,1H2;;/q;;;;;;+1;-1.
What are the key properties of sodium;3-amino-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-methylsulfinylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-[4-[(2-hydroxy-2-pyridin-2-ylethyl)amino]piperidin-1-yl]-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(4-oxopiperidin-1-yl)-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;2-amino-1-pyridin-2-ylethanol;hydride;2,2,2-trifluoroethanol?
sodium;3-amino-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-methylsulfinylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-[4-[(2-hydroxy-2-pyridin-2-ylethyl)amino]piperidin-1-yl]-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(4-oxopiperidin-1-yl)-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;2-amino-1-pyridin-2-ylethanol;hydride;2,2,2-trifluoroethanol has a molecular weight of 1990.04 g/mol, XLogP of 5.74, 21 rotatable bonds, 13 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;3-amino-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-methylsulfinylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-[4-[(2-hydroxy-2-pyridin-2-ylethyl)amino]piperidin-1-yl]-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-(4-oxopiperidin-1-yl)-4-(2,2,2-trifluoroethoxy)thieno[2,3-b]pyridine-2-carboxamide;2-amino-1-pyridin-2-ylethanol;hydride;2,2,2-trifluoroethanol is sourced from PubChem (CID 161411493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).