2-(3-ethylsulfanyl-5-methylindazol-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine

C18H16F3N5S — CID 158043161

IUPAC2-(3-ethylsulfanyl-5-methylindazol-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCCSc1c2cc(C)ccc2nn1-c1nc2cc(C(F)(F)F)cnc2n1C
InChIInChI=1S/C18H16F3N5S/c1-4-27-16-12-7-10(2)5-6-13(12)24-26(16)17-23-14-8-11(18(19,20)21)9-22-15(14)25(17)3/h5-9H,4H2,1-3H3
InChIKeyZYAHYGCUNSTUPA-UHFFFAOYSA-N
MW391.42 g/mol
LogP4.75
Rot. Bonds3

About 2-(3-ethylsulfanyl-5-methylindazol-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine

2-(3-ethylsulfanyl-5-methylindazol-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine (PubChem CID 158043161) has the molecular formula C18H16F3N5S and a molecular weight of 391.42 g/mol. Its IUPAC name is 2-(3-ethylsulfanyl-5-methylindazol-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(3-ethylsulfanyl-5-methylindazol-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
PubChem CID158043161
Molecular FormulaC18H16F3N5S
Molecular Weight391.42 g/mol
Exact Mass391.11
IUPAC Name2-(3-ethylsulfanyl-5-methylindazol-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCCSc1c2cc(C)ccc2nn1-c1nc2cc(C(F)(F)F)cnc2n1C
InChIInChI=1S/C18H16F3N5S/c1-4-27-16-12-7-10(2)5-6-13(12)24-26(16)17-23-14-8-11(18(19,20)21)9-22-15(14)25(17)3/h5-9H,4H2,1-3H3
InChIKeyZYAHYGCUNSTUPA-UHFFFAOYSA-N
XLogP4.75
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 54.75
H-Bond Donors ≤ 50
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-(trifluoromethyl)-2-pyridinyl]-3,6-dimethylimidazo[4,5-b]pyridine
CID 90275803
2-(6-bromo-3-ethylsulfanyl-1-benzothiophen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 122517166
2-[3-ethylsulfinyl-4-(trifluoromethyl)indazol-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 134557830
4,7-bis(ethylsulfanyl)-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]isoquinoline
CID 154691028
2-(5-ethyl-3-ethylsulfanyl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 162488587
N-[3-chloro-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]indazol-6-yl]acetamide
CID 134557888
methyl 3-ethylsulfanyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]benzoate
CID 144690968
2-chloro-4-ethylsulfanyl-N,N-dihydroxy-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]aniline
CID 162611112
2-(2-ethylsulfanylimidazo[1,2-a]pyridin-3-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 155390432
2-[3-ethylsulfanyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetonitrile
CID 138533577

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylsulfanyl-5-methylindazol-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(3-ethylsulfanyl-5-methylindazol-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine (CID 158043161) is 2-(3-ethylsulfanyl-5-methylindazol-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(3-ethylsulfanyl-5-methylindazol-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(3-ethylsulfanyl-5-methylindazol-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine is CCSc1c2cc(C)ccc2nn1-c1nc2cc(C(F)(F)F)cnc2n1C.
What is the InChIKey of 2-(3-ethylsulfanyl-5-methylindazol-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The InChIKey is ZYAHYGCUNSTUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5S/c1-4-27-16-12-7-10(2)5-6-13(12)24-26(16)17-23-14-8-11(18(19,20)21)9-22-15(14)25(17)3/h5-9H,4H2,1-3H3.
What are the key properties of 2-(3-ethylsulfanyl-5-methylindazol-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
2-(3-ethylsulfanyl-5-methylindazol-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine has a molecular weight of 391.42 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylsulfanyl-5-methylindazol-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 158043161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).