N,1-dimethyl-6-[2-(4-methyl-4H-imidazol-5-yl)thieno[3,2-b]pyridin-7-yl]oxy-2-(trifluoromethyl)indole-3-carboxamide

C23H18F3N5O2S — CID 23572875

IUPACN,1-dimethyl-6-[2-(4-methyl-4H-imidazol-5-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(C5=NC=NC5C)sc34)ccc12
InChIInChI=1S/C23H18F3N5O2S/c1-11-19(30-10-29-11)17-9-14-20(34-17)16(6-7-28-14)33-12-4-5-13-15(8-12)31(3)21(23(24,25)26)18(13)22(32)27-2/h4-11H,1-3H3,(H,27,32)
InChIKeyWBKZOBMIBXGIJR-UHFFFAOYSA-N
MW485.49 g/mol
LogP5.18
Rot. Bonds4

About N,1-dimethyl-6-[2-(4-methyl-4H-imidazol-5-yl)thieno[3,2-b]pyridin-7-yl]oxy-2-(trifluoromethyl)indole-3-carboxamide

N,1-dimethyl-6-[2-(4-methyl-4H-imidazol-5-yl)thieno[3,2-b]pyridin-7-yl]oxy-2-(trifluoromethyl)indole-3-carboxamide (PubChem CID 23572875) has the molecular formula C23H18F3N5O2S and a molecular weight of 485.49 g/mol. Its IUPAC name is N,1-dimethyl-6-[2-(4-methyl-4H-imidazol-5-yl)thieno[3,2-b]pyridin-7-yl]oxy-2-(trifluoromethyl)indole-3-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-6-[2-(4-methyl-4H-imidazol-5-yl)thieno[3,2-b]pyridin-7-yl]oxy-2-(trifluoromethyl)indole-3-carboxamide
PubChem CID23572875
Molecular FormulaC23H18F3N5O2S
Molecular Weight485.49 g/mol
Exact Mass485.11
IUPAC NameN,1-dimethyl-6-[2-(4-methyl-4H-imidazol-5-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(C5=NC=NC5C)sc34)ccc12
InChIInChI=1S/C23H18F3N5O2S/c1-11-19(30-10-29-11)17-9-14-20(34-17)16(6-7-28-14)33-12-4-5-13-15(8-12)31(3)21(23(24,25)26)18(13)22(32)27-2/h4-11H,1-3H3,(H,27,32)
InChIKeyWBKZOBMIBXGIJR-UHFFFAOYSA-N
XLogP5.18
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.49
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-6-(2-(1-methyl-4,5-dihydro-1H-imidazol-2-yl)thieno[3,2-b]pyridin-7-yloxy)benzo[b]thiophene-3-carboxamide
CID 52947268
6-(4-fluorophenoxy)-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide
CID 10480729
1-Benzyl-N-(3,4-difluorobenzyl)-2-isopropyl-6-(1,3-thiazol-2-yloxy)-1H-indole-3-carboxamide
CID 59762285
N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-(1,3-thiazol-2-yloxy)indole-3-carboxamide
CID 59762293
6-(Cyclopentyloxy)-2-isopropyl-1-(pyridin-2-ylmethyl)-N-((6-(trifluoromethyl)pyridin-3-yl)methyl)-1H-indole-3-carboxamide
CID 59762323
N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-3-ylmethyl)-6-(1,3-thiazol-2-yloxy)indole-3-carboxamide
CID 59762381
N-[(4-ethoxyphenyl)methyl]-4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 16016637
6-(1-benzylindol-3-yl)-2-(4-methoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 136228006
3-[(7-methoxyquinolin-4-yl)methylamino]-N-[5-(trifluoromethyl)pyridin-3-yl]thiophene-2-carboxamide
CID 11510870
3-[(7-propan-2-yloxyquinolin-4-yl)methylamino]-N-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide
CID 11518969
3-[(7-methoxyquinolin-4-yl)methylamino]-N-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide
CID 11641400
3-[(7-ethoxyquinolin-4-yl)methylamino]-N-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide
CID 11705802

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-6-[2-(4-methyl-4H-imidazol-5-yl)thieno[3,2-b]pyridin-7-yl]oxy-2-(trifluoromethyl)indole-3-carboxamide?
The IUPAC name of N,1-dimethyl-6-[2-(4-methyl-4H-imidazol-5-yl)thieno[3,2-b]pyridin-7-yl]oxy-2-(trifluoromethyl)indole-3-carboxamide (CID 23572875) is N,1-dimethyl-6-[2-(4-methyl-4H-imidazol-5-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-(4-methyl-4H-imidazol-5-yl)thieno[3,2-b]pyridin-7-yl]oxy-2-(trifluoromethyl)indole-3-carboxamide?
The canonical SMILES for N,1-dimethyl-6-[2-(4-methyl-4H-imidazol-5-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(C5=NC=NC5C)sc34)ccc12.
What is the InChIKey of N,1-dimethyl-6-[2-(4-methyl-4H-imidazol-5-yl)thieno[3,2-b]pyridin-7-yl]oxy-2-(trifluoromethyl)indole-3-carboxamide?
The InChIKey is WBKZOBMIBXGIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N5O2S/c1-11-19(30-10-29-11)17-9-14-20(34-17)16(6-7-28-14)33-12-4-5-13-15(8-12)31(3)21(23(24,25)26)18(13)22(32)27-2/h4-11H,1-3H3,(H,27,32).
What are the key properties of N,1-dimethyl-6-[2-(4-methyl-4H-imidazol-5-yl)thieno[3,2-b]pyridin-7-yl]oxy-2-(trifluoromethyl)indole-3-carboxamide?
N,1-dimethyl-6-[2-(4-methyl-4H-imidazol-5-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 5.18, 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-(4-methyl-4H-imidazol-5-yl)thieno[3,2-b]pyridin-7-yl]oxy-2-(trifluoromethyl)indole-3-carboxamide is sourced from PubChem (CID 23572875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).