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

C18H13F6N5OS — CID 134557830

IUPAC2-[3-ethylsulfinyl-4-(trifluoromethyl)indazol-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCCS(=O)c1c2c(C(F)(F)F)cccc2nn1-c1nc2cc(C(F)(F)F)cnc2n1C
InChIInChI=1S/C18H13F6N5OS/c1-3-31(30)15-13-10(18(22,23)24)5-4-6-11(13)27-29(15)16-26-12-7-9(17(19,20)21)8-25-14(12)28(16)2/h4-8H,3H2,1-2H3
InChIKeyFDUZLWQRUUSEFC-UHFFFAOYSA-N
MW461.39 g/mol
LogP4.47
Rot. Bonds3

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

2-[3-ethylsulfinyl-4-(trifluoromethyl)indazol-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine (PubChem CID 134557830) has the molecular formula C18H13F6N5OS and a molecular weight of 461.39 g/mol. Its IUPAC name is 2-[3-ethylsulfinyl-4-(trifluoromethyl)indazol-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[3-ethylsulfinyl-4-(trifluoromethyl)indazol-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
PubChem CID134557830
Molecular FormulaC18H13F6N5OS
Molecular Weight461.39 g/mol
Exact Mass461.07
IUPAC Name2-[3-ethylsulfinyl-4-(trifluoromethyl)indazol-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCCS(=O)c1c2c(C(F)(F)F)cccc2nn1-c1nc2cc(C(F)(F)F)cnc2n1C
InChIInChI=1S/C18H13F6N5OS/c1-3-31(30)15-13-10(18(22,23)24)5-4-6-11(13)27-29(15)16-26-12-7-9(17(19,20)21)8-25-14(12)28(16)2/h4-8H,3H2,1-2H3
InChIKeyFDUZLWQRUUSEFC-UHFFFAOYSA-N
XLogP4.47
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.39
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-ethylsulfinylpyrazolo[3,4-c]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 134557860
2-(3-ethylsulfinyl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 71250990
2-(3-bromo-6-chloroindazol-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 134544086
2-(3-ethylsulfanyl-5-methylindazol-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 158043161
2-(3-ethylsulfinyl-4-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 66600583
2-[3-ethylsulfinyl-6-(1,2,4-triazol-1-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 129140267
3-ethylsulfinyl-5,7-dimethyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine
CID 166806497
N-[3-chloro-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]indazol-6-yl]acetamide
CID 134557888
7-ethylsulfinyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-[1,3]thiazolo[4,5-c]pyridine
CID 134202400
1-[4-[5-ethylsulfinyl-1-methyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]phenyl]cyclopropane-1-carbonitrile
CID 146290140
5-[5-ethylsulfinyl-1-methyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole
CID 146290104
2-(4-chloro-2-ethylsulfinylcyclohexa-2,4-dien-1-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 137468449

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethylsulfinyl-4-(trifluoromethyl)indazol-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-[3-ethylsulfinyl-4-(trifluoromethyl)indazol-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine (CID 134557830) is 2-[3-ethylsulfinyl-4-(trifluoromethyl)indazol-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[3-ethylsulfinyl-4-(trifluoromethyl)indazol-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[3-ethylsulfinyl-4-(trifluoromethyl)indazol-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine is CCS(=O)c1c2c(C(F)(F)F)cccc2nn1-c1nc2cc(C(F)(F)F)cnc2n1C.
What is the InChIKey of 2-[3-ethylsulfinyl-4-(trifluoromethyl)indazol-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The InChIKey is FDUZLWQRUUSEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F6N5OS/c1-3-31(30)15-13-10(18(22,23)24)5-4-6-11(13)27-29(15)16-26-12-7-9(17(19,20)21)8-25-14(12)28(16)2/h4-8H,3H2,1-2H3.
What are the key properties of 2-[3-ethylsulfinyl-4-(trifluoromethyl)indazol-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
2-[3-ethylsulfinyl-4-(trifluoromethyl)indazol-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine has a molecular weight of 461.39 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethylsulfinyl-4-(trifluoromethyl)indazol-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 134557830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).