5-chloro-6-fluoro-4-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(trifluoromethoxy)-1H-indazole

C16H9ClF4N4O — CID 163221217

IUPAC5-chloro-6-fluoro-4-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(trifluoromethoxy)-1H-indazole
SMILESCc1cn2cc(-c3c(Cl)c(F)c(OC(F)(F)F)c4[nH]ncc34)ccc2n1
InChIInChI=1S/C16H9ClF4N4O/c1-7-5-25-6-8(2-3-10(25)23-7)11-9-4-22-24-14(9)15(13(18)12(11)17)26-16(19,20)21/h2-6H,1H3,(H,22,24)
InChIKeyWYZVMCPEPZKTGC-UHFFFAOYSA-N
MW384.72 g/mol
LogP4.88
Rot. Bonds2

About 5-chloro-6-fluoro-4-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(trifluoromethoxy)-1H-indazole

5-chloro-6-fluoro-4-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(trifluoromethoxy)-1H-indazole (PubChem CID 163221217) has the molecular formula C16H9ClF4N4O and a molecular weight of 384.72 g/mol. Its IUPAC name is 5-chloro-6-fluoro-4-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(trifluoromethoxy)-1H-indazole.

Molecular Properties

Compound Name5-chloro-6-fluoro-4-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(trifluoromethoxy)-1H-indazole
PubChem CID163221217
Molecular FormulaC16H9ClF4N4O
Molecular Weight384.72 g/mol
Exact Mass384.04
IUPAC Name5-chloro-6-fluoro-4-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(trifluoromethoxy)-1H-indazole
SMILESCc1cn2cc(-c3c(Cl)c(F)c(OC(F)(F)F)c4[nH]ncc34)ccc2n1
InChIInChI=1S/C16H9ClF4N4O/c1-7-5-25-6-8(2-3-10(25)23-7)11-9-4-22-24-14(9)15(13(18)12(11)17)26-16(19,20)21/h2-6H,1H3,(H,22,24)
InChIKeyWYZVMCPEPZKTGC-UHFFFAOYSA-N
XLogP4.88
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.72
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-fluoro-4-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(trifluoromethoxy)-1H-indazole?
The IUPAC name of 5-chloro-6-fluoro-4-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(trifluoromethoxy)-1H-indazole (CID 163221217) is 5-chloro-6-fluoro-4-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(trifluoromethoxy)-1H-indazole.
What is the SMILES notation for 5-chloro-6-fluoro-4-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(trifluoromethoxy)-1H-indazole?
The canonical SMILES for 5-chloro-6-fluoro-4-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(trifluoromethoxy)-1H-indazole is Cc1cn2cc(-c3c(Cl)c(F)c(OC(F)(F)F)c4[nH]ncc34)ccc2n1.
What is the InChIKey of 5-chloro-6-fluoro-4-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(trifluoromethoxy)-1H-indazole?
The InChIKey is WYZVMCPEPZKTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF4N4O/c1-7-5-25-6-8(2-3-10(25)23-7)11-9-4-22-24-14(9)15(13(18)12(11)17)26-16(19,20)21/h2-6H,1H3,(H,22,24).
What are the key properties of 5-chloro-6-fluoro-4-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(trifluoromethoxy)-1H-indazole?
5-chloro-6-fluoro-4-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(trifluoromethoxy)-1H-indazole has a molecular weight of 384.72 g/mol, XLogP of 4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-fluoro-4-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(trifluoromethoxy)-1H-indazole is sourced from PubChem (CID 163221217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).