3-(1H-indazol-5-yl)-2-thiophen-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridine

C18H10F3N5S — CID 122654519

IUPAC3-(1H-indazol-5-yl)-2-thiophen-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESFC(F)(F)c1ccc2nc(-c3cccs3)n(-c3ccc4[nH]ncc4c3)c2n1
InChIInChI=1S/C18H10F3N5S/c19-18(20,21)15-6-5-13-16(24-15)26(17(23-13)14-2-1-7-27-14)11-3-4-12-10(8-11)9-22-25-12/h1-9H,(H,22,25)
InChIKeyLWWVLMPJFVCGGH-UHFFFAOYSA-N
MW385.37 g/mol
LogP5.04
Rot. Bonds2

About 3-(1H-indazol-5-yl)-2-thiophen-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridine

3-(1H-indazol-5-yl)-2-thiophen-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridine (PubChem CID 122654519) has the molecular formula C18H10F3N5S and a molecular weight of 385.37 g/mol. Its IUPAC name is 3-(1H-indazol-5-yl)-2-thiophen-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(1H-indazol-5-yl)-2-thiophen-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridine
PubChem CID122654519
Molecular FormulaC18H10F3N5S
Molecular Weight385.37 g/mol
Exact Mass385.06
IUPAC Name3-(1H-indazol-5-yl)-2-thiophen-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESFC(F)(F)c1ccc2nc(-c3cccs3)n(-c3ccc4[nH]ncc4c3)c2n1
InChIInChI=1S/C18H10F3N5S/c19-18(20,21)15-6-5-13-16(24-15)26(17(23-13)14-2-1-7-27-14)11-3-4-12-10(8-11)9-22-25-12/h1-9H,(H,22,25)
InChIKeyLWWVLMPJFVCGGH-UHFFFAOYSA-N
XLogP5.04
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.37
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-fluoro-2-pyridinyl)-3-(1H-indazol-5-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 122654838
3-(1H-indazol-5-yl)-2-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 122654554
1-[3-(1H-indazol-5-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]cyclopropan-1-ol
CID 122654553
5-chloro-3-(1H-indazol-5-yl)-2-phenylimidazo[4,5-b]pyridine
CID 122654513
2-(4-fluorophenyl)-3-(1H-indazol-5-yl)-5-propan-2-ylimidazo[4,5-b]pyridine
CID 122654356
3-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 153345504
4-(2-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)phenol
CID 117164600
3-(3,4-dichlorophenyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline
CID 3495930
6-[2-propan-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-3H-1,3-benzothiazol-2-one
CID 122654641
5-[4-tert-butyl-2-(trifluoromethyl)imidazol-1-yl]-1H-indazole
CID 172744174
3-naphthalen-2-yl-2-thiophen-2-ylquinazolin-4-one
CID 1116973
2-N-(1H-indazol-5-yl)-6-(trifluoromethyl)pyridine-2,3-diamine
CID 122654637

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indazol-5-yl)-2-thiophen-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(1H-indazol-5-yl)-2-thiophen-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridine (CID 122654519) is 3-(1H-indazol-5-yl)-2-thiophen-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(1H-indazol-5-yl)-2-thiophen-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(1H-indazol-5-yl)-2-thiophen-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridine is FC(F)(F)c1ccc2nc(-c3cccs3)n(-c3ccc4[nH]ncc4c3)c2n1.
What is the InChIKey of 3-(1H-indazol-5-yl)-2-thiophen-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridine?
The InChIKey is LWWVLMPJFVCGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F3N5S/c19-18(20,21)15-6-5-13-16(24-15)26(17(23-13)14-2-1-7-27-14)11-3-4-12-10(8-11)9-22-25-12/h1-9H,(H,22,25).
What are the key properties of 3-(1H-indazol-5-yl)-2-thiophen-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridine?
3-(1H-indazol-5-yl)-2-thiophen-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridine has a molecular weight of 385.37 g/mol, XLogP of 5.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indazol-5-yl)-2-thiophen-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 122654519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).