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

C23H21N5O2S — CID 10002853

IUPACN,1,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide
SMILESCNC(=O)c1c(C)n(C)c2cc(Oc3ccnc4cc(-c5nccn5C)sc34)ccc12
InChIInChI=1S/C23H21N5O2S/c1-13-20(23(29)24-2)15-6-5-14(11-17(15)28(13)4)30-18-7-8-25-16-12-19(31-21(16)18)22-26-9-10-27(22)3/h5-12H,1-4H3,(H,24,29)
InChIKeyUPHOCKTZLFGXRW-UHFFFAOYSA-N
MW431.52 g/mol
LogP4.65
Rot. Bonds4

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

N,1,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide (PubChem CID 10002853) has the molecular formula C23H21N5O2S and a molecular weight of 431.52 g/mol. Its IUPAC name is N,1,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide.

Molecular Properties

Compound NameN,1,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide
PubChem CID10002853
Molecular FormulaC23H21N5O2S
Molecular Weight431.52 g/mol
Exact Mass431.14
IUPAC NameN,1,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide
SMILESCNC(=O)c1c(C)n(C)c2cc(Oc3ccnc4cc(-c5nccn5C)sc34)ccc12
InChIInChI=1S/C23H21N5O2S/c1-13-20(23(29)24-2)15-6-5-14(11-17(15)28(13)4)30-18-7-8-25-16-12-19(31-21(16)18)22-26-9-10-27(22)3/h5-12H,1-4H3,(H,24,29)
InChIKeyUPHOCKTZLFGXRW-UHFFFAOYSA-N
XLogP4.65
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,1,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide?
The IUPAC name of N,1,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide (CID 10002853) is N,1,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide.
What is the SMILES notation for N,1,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide?
The canonical SMILES for N,1,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide is CNC(=O)c1c(C)n(C)c2cc(Oc3ccnc4cc(-c5nccn5C)sc34)ccc12.
What is the InChIKey of N,1,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide?
The InChIKey is UPHOCKTZLFGXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2S/c1-13-20(23(29)24-2)15-6-5-14(11-17(15)28(13)4)30-18-7-8-25-16-12-19(31-21(16)18)22-26-9-10-27(22)3/h5-12H,1-4H3,(H,24,29).
What are the key properties of N,1,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide?
N,1,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide has a molecular weight of 431.52 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,2-trimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide is sourced from PubChem (CID 10002853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).