2-ethyl-N,1-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide

C24H23N5O2S — CID 20767796

IUPAC2-ethyl-N,1-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide
SMILESCCc1c(C(=O)NC)c2ccc(Oc3ccnc4cc(-c5nccn5C)sc34)cc2n1C
InChIInChI=1S/C24H23N5O2S/c1-5-17-21(24(30)25-2)15-7-6-14(12-18(15)29(17)4)31-19-8-9-26-16-13-20(32-22(16)19)23-27-10-11-28(23)3/h6-13H,5H2,1-4H3,(H,25,30)
InChIKeyHROXIYGKBAAAOG-UHFFFAOYSA-N
MW445.55 g/mol
LogP4.90
Rot. Bonds5

About 2-ethyl-N,1-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide

2-ethyl-N,1-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide (PubChem CID 20767796) has the molecular formula C24H23N5O2S and a molecular weight of 445.55 g/mol. Its IUPAC name is 2-ethyl-N,1-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N,1-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide
PubChem CID20767796
Molecular FormulaC24H23N5O2S
Molecular Weight445.55 g/mol
Exact Mass445.16
IUPAC Name2-ethyl-N,1-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide
SMILESCCc1c(C(=O)NC)c2ccc(Oc3ccnc4cc(-c5nccn5C)sc34)cc2n1C
InChIInChI=1S/C24H23N5O2S/c1-5-17-21(24(30)25-2)15-7-6-14(12-18(15)29(17)4)31-19-8-9-26-16-13-20(32-22(16)19)23-27-10-11-28(23)3/h6-13H,5H2,1-4H3,(H,25,30)
InChIKeyHROXIYGKBAAAOG-UHFFFAOYSA-N
XLogP4.90
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.55
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N,1-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide?
The IUPAC name of 2-ethyl-N,1-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide (CID 20767796) is 2-ethyl-N,1-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide.
What is the SMILES notation for 2-ethyl-N,1-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide?
The canonical SMILES for 2-ethyl-N,1-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide is CCc1c(C(=O)NC)c2ccc(Oc3ccnc4cc(-c5nccn5C)sc34)cc2n1C.
What is the InChIKey of 2-ethyl-N,1-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide?
The InChIKey is HROXIYGKBAAAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2S/c1-5-17-21(24(30)25-2)15-7-6-14(12-18(15)29(17)4)31-19-8-9-26-16-13-20(32-22(16)19)23-27-10-11-28(23)3/h6-13H,5H2,1-4H3,(H,25,30).
What are the key properties of 2-ethyl-N,1-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide?
2-ethyl-N,1-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide has a molecular weight of 445.55 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,1-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide is sourced from PubChem (CID 20767796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).