N-[3-chloro-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]indazol-6-yl]acetamide

C17H12ClF3N6O — CID 134557888

IUPACN-[3-chloro-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]indazol-6-yl]acetamide
SMILESCC(=O)Nc1ccc2c(Cl)n(-c3nc4cc(C(F)(F)F)cnc4n3C)nc2c1
InChIInChI=1S/C17H12ClF3N6O/c1-8(28)23-10-3-4-11-12(6-10)25-27(14(11)18)16-24-13-5-9(17(19,20)21)7-22-15(13)26(16)2/h3-7H,1-2H3,(H,23,28)
InChIKeyKLHCDOKJIOTGOV-UHFFFAOYSA-N
MW408.77 g/mol
LogP3.94
Rot. Bonds2

About N-[3-chloro-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]indazol-6-yl]acetamide

N-[3-chloro-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]indazol-6-yl]acetamide (PubChem CID 134557888) has the molecular formula C17H12ClF3N6O and a molecular weight of 408.77 g/mol. Its IUPAC name is N-[3-chloro-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]indazol-6-yl]acetamide.

Molecular Properties

Compound NameN-[3-chloro-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]indazol-6-yl]acetamide
PubChem CID134557888
Molecular FormulaC17H12ClF3N6O
Molecular Weight408.77 g/mol
Exact Mass408.07
IUPAC NameN-[3-chloro-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]indazol-6-yl]acetamide
SMILESCC(=O)Nc1ccc2c(Cl)n(-c3nc4cc(C(F)(F)F)cnc4n3C)nc2c1
InChIInChI=1S/C17H12ClF3N6O/c1-8(28)23-10-3-4-11-12(6-10)25-27(14(11)18)16-24-13-5-9(17(19,20)21)7-22-15(13)26(16)2/h3-7H,1-2H3,(H,23,28)
InChIKeyKLHCDOKJIOTGOV-UHFFFAOYSA-N
XLogP3.94
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.77
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-bromo-6-chloroindazol-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 134544086
2-(3-ethylsulfinylpyrazolo[3,4-c]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 134557860
2-(3-ethylsulfanyl-5-methylindazol-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 158043161
[2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-4,5,6,7-tetrahydroindazol-3-yl] trifluoromethanesulfonate
CID 134557848
2-[3-ethylsulfinyl-4-(trifluoromethyl)indazol-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 134557830
1-(2,3-dimethylindazol-6-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 74763930
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide
CID 2800641
methyl 3-ethylsulfanyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]benzoate
CID 144690968
N-(cyanomethyl)-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide
CID 88586574
1-[2-ethylsulfanyl-7-methyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]butan-1-one
CID 177236224
2-(2-fluorophenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 67981840
2-(3,6-dimethyl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 149142899

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]indazol-6-yl]acetamide?
The IUPAC name of N-[3-chloro-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]indazol-6-yl]acetamide (CID 134557888) is N-[3-chloro-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]indazol-6-yl]acetamide.
What is the SMILES notation for N-[3-chloro-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]indazol-6-yl]acetamide?
The canonical SMILES for N-[3-chloro-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]indazol-6-yl]acetamide is CC(=O)Nc1ccc2c(Cl)n(-c3nc4cc(C(F)(F)F)cnc4n3C)nc2c1.
What is the InChIKey of N-[3-chloro-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]indazol-6-yl]acetamide?
The InChIKey is KLHCDOKJIOTGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N6O/c1-8(28)23-10-3-4-11-12(6-10)25-27(14(11)18)16-24-13-5-9(17(19,20)21)7-22-15(13)26(16)2/h3-7H,1-2H3,(H,23,28).
What are the key properties of N-[3-chloro-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]indazol-6-yl]acetamide?
N-[3-chloro-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]indazol-6-yl]acetamide has a molecular weight of 408.77 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]indazol-6-yl]acetamide is sourced from PubChem (CID 134557888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).