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

C23H18F3N5O2S — CID 20767887

IUPACN,1-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-2-(trifluoromethyl)indole-3-carboxamide
SMILESCNC(=O)c1c(C(F)(F)F)n(C)c2cc(Oc3ccnc4cc(-c5nccn5C)sc34)ccc12
InChIInChI=1S/C23H18F3N5O2S/c1-27-22(32)18-13-5-4-12(10-15(13)31(3)20(18)23(24,25)26)33-16-6-7-28-14-11-17(34-19(14)16)21-29-8-9-30(21)2/h4-11H,1-3H3,(H,27,32)
InChIKeyIVXFHKXSHHAIJT-UHFFFAOYSA-N
MW485.49 g/mol
LogP5.36
Rot. Bonds4

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

N,1-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-2-(trifluoromethyl)indole-3-carboxamide (PubChem CID 20767887) has the molecular formula C23H18F3N5O2S and a molecular weight of 485.49 g/mol. Its IUPAC name is N,1-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-2-(trifluoromethyl)indole-3-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-2-(trifluoromethyl)indole-3-carboxamide
PubChem CID20767887
Molecular FormulaC23H18F3N5O2S
Molecular Weight485.49 g/mol
Exact Mass485.11
IUPAC NameN,1-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-2-(trifluoromethyl)indole-3-carboxamide
SMILESCNC(=O)c1c(C(F)(F)F)n(C)c2cc(Oc3ccnc4cc(-c5nccn5C)sc34)ccc12
InChIInChI=1S/C23H18F3N5O2S/c1-27-22(32)18-13-5-4-12(10-15(13)31(3)20(18)23(24,25)26)33-16-6-7-28-14-11-17(34-19(14)16)21-29-8-9-30(21)2/h4-11H,1-3H3,(H,27,32)
InChIKeyIVXFHKXSHHAIJT-UHFFFAOYSA-N
XLogP5.36
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.49
LogP ≤ 55.36
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]oxy-2-(trifluoromethyl)indole-3-carboxamide?
The IUPAC name of N,1-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-2-(trifluoromethyl)indole-3-carboxamide (CID 20767887) is N,1-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-2-(trifluoromethyl)indole-3-carboxamide.
What is the SMILES notation for N,1-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-2-(trifluoromethyl)indole-3-carboxamide?
The canonical SMILES for N,1-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-2-(trifluoromethyl)indole-3-carboxamide is CNC(=O)c1c(C(F)(F)F)n(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]oxy-2-(trifluoromethyl)indole-3-carboxamide?
The InChIKey is IVXFHKXSHHAIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N5O2S/c1-27-22(32)18-13-5-4-12(10-15(13)31(3)20(18)23(24,25)26)33-16-6-7-28-14-11-17(34-19(14)16)21-29-8-9-30(21)2/h4-11H,1-3H3,(H,27,32).
What are the key properties of N,1-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-2-(trifluoromethyl)indole-3-carboxamide?
N,1-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-2-(trifluoromethyl)indole-3-carboxamide has a molecular weight of 485.49 g/mol, XLogP of 5.36, 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]oxy-2-(trifluoromethyl)indole-3-carboxamide is sourced from PubChem (CID 20767887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).