N,1-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide;6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,1-trimethylindole-3-carboxamide;N,N,1-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide;bis(N,N,1-trimethyl-6-[2-[(3R)-3-methylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide)

C119H116N22O14S5 — CID 159641492

IUPACN,1-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide;6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,1-trimethylindole-3-carboxamide;N,N,1-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide;bis(N,N,1-trimethyl-6-[2-[(3R)-3-methylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide)
SMILESCN(C)C(=O)c1cn(C)c2cc(Oc3ccnc4cc(-c5nccn5C)sc34)ccc12.CN(C)C(=O)c1cn(C)c2cc(Oc3ccnc4cc(C(=O)N5CC[C@@H](O)C5)sc34)ccc12.CNC(=O)c1cn(C)c2cc(Oc3ccnc4cc(-c5nccn5C)sc34)ccc12.C[C@@H]1CCN(C(=O)c2cc3nccc(Oc4ccc5c(C(=O)N(C)C)cn(C)c5c4)c3s2)C1.C[C@@H]1CCN(C(=O)c2cc3nccc(Oc4ccc5c(C(=O)N(C)C)cn(C)c5c4)c3s2)C1
InChIInChI=1S/2C25H26N4O3S.C24H24N4O4S.C23H21N5O2S.C22H19N5O2S/c2*1-15-8-10-29(13-15)25(31)22-12-19-23(33-22)21(7-9-26-19)32-16-5-6-17-18(24(30)27(2)3)14-28(4)20(17)11-16;1-26(2)23(30)17-13-27(3)19-10-15(4-5-16(17)19)32-20-6-8-25-18-11-21(33-22(18)20)24(31)28-9-7-14(29)12-28;1-26(2)23(29)16-13-28(4)18-11-14(5-6-15(16)18)30-19-7-8-24-17-12-20(31-21(17)19)22-25-9-10-27(22)3;1-23-22(28)15-12-27(3)17-10-13(4-5-14(15)17)29-18-6-7-24-16-11-19(30-20(16)18)21-25-8-9-26(21)2/h2*5-7,9,11-12,14-15H,8,10,13H2,1-4H3;4-6,8,10-11,13-14,29H,7,9,12H2,1-3H3;5-13H,1-4H3;4-12H,1-3H3,(H,23,28)/t2*15-;14-;;/m111../s1
InChIKeyMQKISJHZKKVBCJ-MICFKCIUSA-N
MW2238.71 g/mol
LogP22.04
Rot. Bonds20

About N,1-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide;6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,1-trimethylindole-3-carboxamide;N,N,1-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide;bis(N,N,1-trimethyl-6-[2-[(3R)-3-methylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide)

N,1-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide;6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,1-trimethylindole-3-carboxamide;N,N,1-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide;bis(N,N,1-trimethyl-6-[2-[(3R)-3-methylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide) (PubChem CID 159641492) has the molecular formula C119H116N22O14S5 and a molecular weight of 2238.71 g/mol. Its IUPAC name is N,1-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide;6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,1-trimethylindole-3-carboxamide;N,N,1-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide;bis(N,N,1-trimethyl-6-[2-[(3R)-3-methylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide).

Molecular Properties

Compound NameN,1-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide;6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,1-trimethylindole-3-carboxamide;N,N,1-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide;bis(N,N,1-trimethyl-6-[2-[(3R)-3-methylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide)
PubChem CID159641492
Molecular FormulaC119H116N22O14S5
Molecular Weight2238.71 g/mol
Exact Mass2236.76
IUPAC NameN,1-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide;6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,1-trimethylindole-3-carboxamide;N,N,1-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide;bis(N,N,1-trimethyl-6-[2-[(3R)-3-methylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide)
SMILESCN(C)C(=O)c1cn(C)c2cc(Oc3ccnc4cc(-c5nccn5C)sc34)ccc12.CN(C)C(=O)c1cn(C)c2cc(Oc3ccnc4cc(C(=O)N5CC[C@@H](O)C5)sc34)ccc12.CNC(=O)c1cn(C)c2cc(Oc3ccnc4cc(-c5nccn5C)sc34)ccc12.C[C@@H]1CCN(C(=O)c2cc3nccc(Oc4ccc5c(C(=O)N(C)C)cn(C)c5c4)c3s2)C1.C[C@@H]1CCN(C(=O)c2cc3nccc(Oc4ccc5c(C(=O)N(C)C)cn(C)c5c4)c3s2)C1
InChIInChI=1S/2C25H26N4O3S.C24H24N4O4S.C23H21N5O2S.C22H19N5O2S/c2*1-15-8-10-29(13-15)25(31)22-12-19-23(33-22)21(7-9-26-19)32-16-5-6-17-18(24(30)27(2)3)14-28(4)20(17)11-16;1-26(2)23(30)17-13-27(3)19-10-15(4-5-16(17)19)32-20-6-8-25-18-11-21(33-22(18)20)24(31)28-9-7-14(29)12-28;1-26(2)23(29)16-13-28(4)18-11-14(5-6-15(16)18)30-19-7-8-24-17-12-20(31-21(17)19)22-25-9-10-27(22)3;1-23-22(28)15-12-27(3)17-10-13(4-5-14(15)17)29-18-6-7-24-16-11-19(30-20(16)18)21-25-8-9-26(21)2/h2*5-7,9,11-12,14-15H,8,10,13H2,1-4H3;4-6,8,10-11,13-14,29H,7,9,12H2,1-3H3;5-13H,1-4H3;4-12H,1-3H3,(H,23,28)/t2*15-;14-;;/m111../s1
InChIKeyMQKISJHZKKVBCJ-MICFKCIUSA-N
XLogP22.04
TPSA362.39 Ų
H-Bond Donors2
H-Bond Acceptors33
Rotatable Bonds20
Heavy Atoms160
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002238.71
LogP ≤ 522.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1033

Analyze N,1-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide;6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,1-trimethylindole-3-carboxamide;N,N,1-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide;bis(N,N,1-trimethyl-6-[2-[(3R)-3-methylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide) with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide;6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,1-trimethylindole-3-carboxamide;N,N,1-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide;bis(N,N,1-trimethyl-6-[2-[(3R)-3-methylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide)?
The IUPAC name of N,1-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide;6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,1-trimethylindole-3-carboxamide;N,N,1-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide;bis(N,N,1-trimethyl-6-[2-[(3R)-3-methylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide) (CID 159641492) is N,1-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide;6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,1-trimethylindole-3-carboxamide;N,N,1-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide;bis(N,N,1-trimethyl-6-[2-[(3R)-3-methylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide).
What is the SMILES notation for N,1-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide;6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,1-trimethylindole-3-carboxamide;N,N,1-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide;bis(N,N,1-trimethyl-6-[2-[(3R)-3-methylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide)?
The canonical SMILES for N,1-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide;6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,1-trimethylindole-3-carboxamide;N,N,1-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide;bis(N,N,1-trimethyl-6-[2-[(3R)-3-methylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide) is CN(C)C(=O)c1cn(C)c2cc(Oc3ccnc4cc(-c5nccn5C)sc34)ccc12.CN(C)C(=O)c1cn(C)c2cc(Oc3ccnc4cc(C(=O)N5CC[C@@H](O)C5)sc34)ccc12.CNC(=O)c1cn(C)c2cc(Oc3ccnc4cc(-c5nccn5C)sc34)ccc12.C[C@@H]1CCN(C(=O)c2cc3nccc(Oc4ccc5c(C(=O)N(C)C)cn(C)c5c4)c3s2)C1.C[C@@H]1CCN(C(=O)c2cc3nccc(Oc4ccc5c(C(=O)N(C)C)cn(C)c5c4)c3s2)C1.
What is the InChIKey of N,1-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide;6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,1-trimethylindole-3-carboxamide;N,N,1-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide;bis(N,N,1-trimethyl-6-[2-[(3R)-3-methylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide)?
The InChIKey is MQKISJHZKKVBCJ-MICFKCIUSA-N. The full InChI is InChI=1S/2C25H26N4O3S.C24H24N4O4S.C23H21N5O2S.C22H19N5O2S/c2*1-15-8-10-29(13-15)25(31)22-12-19-23(33-22)21(7-9-26-19)32-16-5-6-17-18(24(30)27(2)3)14-28(4)20(17)11-16;1-26(2)23(30)17-13-27(3)19-10-15(4-5-16(17)19)32-20-6-8-25-18-11-21(33-22(18)20)24(31)28-9-7-14(29)12-28;1-26(2)23(29)16-13-28(4)18-11-14(5-6-15(16)18)30-19-7-8-24-17-12-20(31-21(17)19)22-25-9-10-27(22)3;1-23-22(28)15-12-27(3)17-10-13(4-5-14(15)17)29-18-6-7-24-16-11-19(30-20(16)18)21-25-8-9-26(21)2/h2*5-7,9,11-12,14-15H,8,10,13H2,1-4H3;4-6,8,10-11,13-14,29H,7,9,12H2,1-3H3;5-13H,1-4H3;4-12H,1-3H3,(H,23,28)/t2*15-;14-;;/m111../s1.
What are the key properties of N,1-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide;6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,1-trimethylindole-3-carboxamide;N,N,1-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide;bis(N,N,1-trimethyl-6-[2-[(3R)-3-methylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide)?
N,1-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide;6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,1-trimethylindole-3-carboxamide;N,N,1-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide;bis(N,N,1-trimethyl-6-[2-[(3R)-3-methylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide) has a molecular weight of 2238.71 g/mol, XLogP of 22.04, 20 rotatable bonds, 2 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide;6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,1-trimethylindole-3-carboxamide;N,N,1-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide;bis(N,N,1-trimethyl-6-[2-[(3R)-3-methylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide) is sourced from PubChem (CID 159641492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).