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

C93H89N17O12S4 — CID 90800952

IUPACN,1-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide;bis(N,1-dimethyl-6-[2-[(3R)-3-methylpyrrolidine-1-carbonyl]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,1-dimethylindole-3-carboxamide
SMILESCNC(=O)c1cn(C)c2cc(Oc3ccnc4cc(-c5nccn5C)sc34)ccc12.CNC(=O)c1cn(C)c2cc(Oc3ccnc4cc(C(=O)N5CC[C@@H](C)C5)sc34)ccc12.CNC(=O)c1cn(C)c2cc(Oc3ccnc4cc(C(=O)N5CC[C@@H](C)C5)sc34)ccc12.CNC(=O)c1cn(C)c2cc(Oc3ccnc4cc(C(=O)N5CC[C@@H](O)C5)sc34)ccc12
InChIInChI=1S/2C24H24N4O3S.C23H22N4O4S.C22H19N5O2S/c2*1-14-7-9-28(12-14)24(30)21-11-18-22(32-21)20(6-8-26-18)31-15-4-5-16-17(23(29)25-2)13-27(3)19(16)10-15;1-24-22(29)16-12-26(2)18-9-14(3-4-15(16)18)31-19-5-7-25-17-10-20(32-21(17)19)23(30)27-8-6-13(28)11-27;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*4-6,8,10-11,13-14H,7,9,12H2,1-3H3,(H,25,29);3-5,7,9-10,12-13,28H,6,8,11H2,1-2H3,(H,24,29);4-12H,1-3H3,(H,23,28)/t2*14-;13-;/m111./s1
InChIKeyAWQNNALDLAQTHX-XCGZPQLKSA-N
MW1765.11 g/mol
LogP16.33
Rot. Bonds16

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

N,1-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide;bis(N,1-dimethyl-6-[2-[(3R)-3-methylpyrrolidine-1-carbonyl]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,1-dimethylindole-3-carboxamide (PubChem CID 90800952) has the molecular formula C93H89N17O12S4 and a molecular weight of 1765.11 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;bis(N,1-dimethyl-6-[2-[(3R)-3-methylpyrrolidine-1-carbonyl]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,1-dimethylindole-3-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide;bis(N,1-dimethyl-6-[2-[(3R)-3-methylpyrrolidine-1-carbonyl]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,1-dimethylindole-3-carboxamide
PubChem CID90800952
Molecular FormulaC93H89N17O12S4
Molecular Weight1765.11 g/mol
Exact Mass1763.58
IUPAC NameN,1-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide;bis(N,1-dimethyl-6-[2-[(3R)-3-methylpyrrolidine-1-carbonyl]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,1-dimethylindole-3-carboxamide
SMILESCNC(=O)c1cn(C)c2cc(Oc3ccnc4cc(-c5nccn5C)sc34)ccc12.CNC(=O)c1cn(C)c2cc(Oc3ccnc4cc(C(=O)N5CC[C@@H](C)C5)sc34)ccc12.CNC(=O)c1cn(C)c2cc(Oc3ccnc4cc(C(=O)N5CC[C@@H](C)C5)sc34)ccc12.CNC(=O)c1cn(C)c2cc(Oc3ccnc4cc(C(=O)N5CC[C@@H](O)C5)sc34)ccc12
InChIInChI=1S/2C24H24N4O3S.C23H22N4O4S.C22H19N5O2S/c2*1-14-7-9-28(12-14)24(30)21-11-18-22(32-21)20(6-8-26-18)31-15-4-5-16-17(23(29)25-2)13-27(3)19(16)10-15;1-24-22(29)16-12-26(2)18-9-14(3-4-15(16)18)31-19-5-7-25-17-10-20(32-21(17)19)23(30)27-8-6-13(28)11-27;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*4-6,8,10-11,13-14H,7,9,12H2,1-3H3,(H,25,29);3-5,7,9-10,12-13,28H,6,8,11H2,1-2H3,(H,24,29);4-12H,1-3H3,(H,23,28)/t2*14-;13-;/m111./s1
InChIKeyAWQNNALDLAQTHX-XCGZPQLKSA-N
XLogP16.33
TPSA323.58 Ų
H-Bond Donors5
H-Bond Acceptors26
Rotatable Bonds16
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001765.11
LogP ≤ 516.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1026

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

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Related Compounds

1-Methyl-6-[2-(1-methyl-1H-imidazol-2-yl)-thieno[3,2-b]pyridin-7-yloxy]-2-trifluoromethyl-1H-indole-3-carboxylic acid methylamide
CID 20767887
1,2-dimethyl-6-(2-[1-methyl-1H-imidazol-2-yl]thieno[3,2-b]pyridin-7-yloxy)-1H-indole-3-carboxylic acid methylamide
CID 10002853
1,2-Dimethyl-6-[2-(1-methyl-1H-imidazol-2-yl)-thieno[3,2-b]pyridin-7-yloxy]-1H-indole-3-carboxylic acid cyclopropylamide
CID 10095632
1-Methyl-6-[2-(1-methyl-1H-imidazol-2-yl)-thieno[3,2-b]pyridin-7-yloxy]-1H-indole-3-carboxylic acid methylamide
CID 10477070
1,2-Dimethyl-6-[2-(1-methyl-1H-imidazol-2-yl)-thieno[3,2-b]pyridin-7-yloxy]-1H-indole-3-carboxylic acid pyridin-2-ylamide
CID 20767774
1,2-Dimethyl-6-[2-(1-methyl-1H-imidazol-2-yl)thieno[3,2-b]pyridin-7-yloxy]-1H-indole-3-carboxylic acid propylamide
CID 20767775
1-Ethyl-2-methyl-6-[2-(1-methyl-1H-imidazol-2-yl)-thieno[3,2-b]pyridin-7-yloxy]-1H-indole-3-carboxylic acid methylamide
CID 20767783
2-Ethyl-1-methyl-6-[2-(1-methyl-1H-imidazol-2-yl)-thieno[3,2-b]pyridin-7-yloxy]-1H-indole-3-carboxylic acid methylamide
CID 20767796
N,N,1,2-tetramethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide
CID 20767933
N-(cyclopropylmethyl)-1,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide
CID 22143598
N,N,1-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide
CID 60064663
3-chloro-4-fluoro-5-[2-[(3S)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-N-prop-2-ynylindole-1-carboxamide;3-chloro-4-fluoro-5-[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide;N,2-dimethyl-5-[[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]methyl]indole-1-carboxamide;5-[[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methyl-N-propan-2-ylindole-1-carboxamide;2-methyl-5-[[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]amino]-N-propan-2-ylindole-1-carboxamide
CID 90778698

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;bis(N,1-dimethyl-6-[2-[(3R)-3-methylpyrrolidine-1-carbonyl]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,1-dimethylindole-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;bis(N,1-dimethyl-6-[2-[(3R)-3-methylpyrrolidine-1-carbonyl]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,1-dimethylindole-3-carboxamide (CID 90800952) is N,1-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide;bis(N,1-dimethyl-6-[2-[(3R)-3-methylpyrrolidine-1-carbonyl]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,1-dimethylindole-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;bis(N,1-dimethyl-6-[2-[(3R)-3-methylpyrrolidine-1-carbonyl]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,1-dimethylindole-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;bis(N,1-dimethyl-6-[2-[(3R)-3-methylpyrrolidine-1-carbonyl]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,1-dimethylindole-3-carboxamide is CNC(=O)c1cn(C)c2cc(Oc3ccnc4cc(-c5nccn5C)sc34)ccc12.CNC(=O)c1cn(C)c2cc(Oc3ccnc4cc(C(=O)N5CC[C@@H](C)C5)sc34)ccc12.CNC(=O)c1cn(C)c2cc(Oc3ccnc4cc(C(=O)N5CC[C@@H](C)C5)sc34)ccc12.CNC(=O)c1cn(C)c2cc(Oc3ccnc4cc(C(=O)N5CC[C@@H](O)C5)sc34)ccc12.
What is the InChIKey of N,1-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide;bis(N,1-dimethyl-6-[2-[(3R)-3-methylpyrrolidine-1-carbonyl]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,1-dimethylindole-3-carboxamide?
The InChIKey is AWQNNALDLAQTHX-XCGZPQLKSA-N. The full InChI is InChI=1S/2C24H24N4O3S.C23H22N4O4S.C22H19N5O2S/c2*1-14-7-9-28(12-14)24(30)21-11-18-22(32-21)20(6-8-26-18)31-15-4-5-16-17(23(29)25-2)13-27(3)19(16)10-15;1-24-22(29)16-12-26(2)18-9-14(3-4-15(16)18)31-19-5-7-25-17-10-20(32-21(17)19)23(30)27-8-6-13(28)11-27;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*4-6,8,10-11,13-14H,7,9,12H2,1-3H3,(H,25,29);3-5,7,9-10,12-13,28H,6,8,11H2,1-2H3,(H,24,29);4-12H,1-3H3,(H,23,28)/t2*14-;13-;/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;bis(N,1-dimethyl-6-[2-[(3R)-3-methylpyrrolidine-1-carbonyl]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,1-dimethylindole-3-carboxamide?
N,1-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide;bis(N,1-dimethyl-6-[2-[(3R)-3-methylpyrrolidine-1-carbonyl]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,1-dimethylindole-3-carboxamide has a molecular weight of 1765.11 g/mol, XLogP of 16.33, 16 rotatable bonds, 5 hydrogen bond donors, and 26 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;bis(N,1-dimethyl-6-[2-[(3R)-3-methylpyrrolidine-1-carbonyl]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,1-dimethylindole-3-carboxamide is sourced from PubChem (CID 90800952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).