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

C24H23N5O2S — CID 20767783

IUPAC1-ethyl-N,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide
SMILESCCn1c(C)c(C(=O)NC)c2ccc(Oc3ccnc4cc(-c5nccn5C)sc34)cc21
InChIInChI=1S/C24H23N5O2S/c1-5-29-14(2)21(24(30)25-3)16-7-6-15(12-18(16)29)31-19-8-9-26-17-13-20(32-22(17)19)23-27-10-11-28(23)4/h6-13H,5H2,1-4H3,(H,25,30)
InChIKeyRDYMMGZVRCJRLD-UHFFFAOYSA-N
MW445.55 g/mol
LogP5.13
Rot. Bonds5

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

1-ethyl-N,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide (PubChem CID 20767783) has the molecular formula C24H23N5O2S and a molecular weight of 445.55 g/mol. Its IUPAC name is 1-ethyl-N,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide
PubChem CID20767783
Molecular FormulaC24H23N5O2S
Molecular Weight445.55 g/mol
Exact Mass445.16
IUPAC Name1-ethyl-N,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide
SMILESCCn1c(C)c(C(=O)NC)c2ccc(Oc3ccnc4cc(-c5nccn5C)sc34)cc21
InChIInChI=1S/C24H23N5O2S/c1-5-29-14(2)21(24(30)25-3)16-7-6-15(12-18(16)29)31-19-8-9-26-17-13-20(32-22(17)19)23-27-10-11-28(23)4/h6-13H,5H2,1-4H3,(H,25,30)
InChIKeyRDYMMGZVRCJRLD-UHFFFAOYSA-N
XLogP5.13
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.55
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide?
The IUPAC name of 1-ethyl-N,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide (CID 20767783) is 1-ethyl-N,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide.
What is the SMILES notation for 1-ethyl-N,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide?
The canonical SMILES for 1-ethyl-N,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide is CCn1c(C)c(C(=O)NC)c2ccc(Oc3ccnc4cc(-c5nccn5C)sc34)cc21.
What is the InChIKey of 1-ethyl-N,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide?
The InChIKey is RDYMMGZVRCJRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2S/c1-5-29-14(2)21(24(30)25-3)16-7-6-15(12-18(16)29)31-19-8-9-26-17-13-20(32-22(17)19)23-27-10-11-28(23)4/h6-13H,5H2,1-4H3,(H,25,30).
What are the key properties of 1-ethyl-N,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide?
1-ethyl-N,2-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 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide is sourced from PubChem (CID 20767783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).