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

C22H19N5O2S — CID 10477070

IUPACN,1-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide
SMILESCNC(=O)c1cn(C)c2cc(Oc3ccnc4cc(-c5nccn5C)sc34)ccc12
InChIInChI=1S/C22H19N5O2S/c1-23-22(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/h4-12H,1-3H3,(H,23,28)
InChIKeyWRUIQPGQBCNOHD-UHFFFAOYSA-N
MW417.49 g/mol
LogP4.34
Rot. Bonds4

About N,1-dimethyl-6-[2-(1-methylimidazol-2-yl)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 (PubChem CID 10477070) has the molecular formula C22H19N5O2S and a molecular weight of 417.49 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.

Molecular Properties

Compound NameN,1-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide
PubChem CID10477070
Molecular FormulaC22H19N5O2S
Molecular Weight417.49 g/mol
Exact Mass417.13
IUPAC NameN,1-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide
SMILESCNC(=O)c1cn(C)c2cc(Oc3ccnc4cc(-c5nccn5C)sc34)ccc12
InChIInChI=1S/C22H19N5O2S/c1-23-22(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/h4-12H,1-3H3,(H,23,28)
InChIKeyWRUIQPGQBCNOHD-UHFFFAOYSA-N
XLogP4.34
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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?
The IUPAC name of N,1-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide (CID 10477070) is 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 N,1-dimethyl-6-[2-(1-methylimidazol-2-yl)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 is CNC(=O)c1cn(C)c2cc(Oc3ccnc4cc(-c5nccn5C)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?
The InChIKey is WRUIQPGQBCNOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2S/c1-23-22(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/h4-12H,1-3H3,(H,23,28).
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?
N,1-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide has a molecular weight of 417.49 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 7 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 is sourced from PubChem (CID 10477070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).