[3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(2,3-dihydroindol-1-yl)methanol

C21H15ClF3N3O2 — CID 162600803

IUPAC[3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(2,3-dihydroindol-1-yl)methanol
SMILESOC(c1nc2c(C(F)(F)F)cc(-c3ccco3)cn2c1Cl)N1CCc2ccccc21
InChIInChI=1S/C21H15ClF3N3O2/c22-18-17(20(29)27-8-7-12-4-1-2-5-15(12)27)26-19-14(21(23,24)25)10-13(11-28(18)19)16-6-3-9-30-16/h1-6,9-11,20,29H,7-8H2
InChIKeyPTHBGFZORSXODW-UHFFFAOYSA-N
MW433.82 g/mol
LogP5.32
Rot. Bonds3

About [3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(2,3-dihydroindol-1-yl)methanol

[3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(2,3-dihydroindol-1-yl)methanol (PubChem CID 162600803) has the molecular formula C21H15ClF3N3O2 and a molecular weight of 433.82 g/mol. Its IUPAC name is [3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(2,3-dihydroindol-1-yl)methanol.

Molecular Properties

Compound Name[3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(2,3-dihydroindol-1-yl)methanol
PubChem CID162600803
Molecular FormulaC21H15ClF3N3O2
Molecular Weight433.82 g/mol
Exact Mass433.08
IUPAC Name[3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(2,3-dihydroindol-1-yl)methanol
SMILESOC(c1nc2c(C(F)(F)F)cc(-c3ccco3)cn2c1Cl)N1CCc2ccccc21
InChIInChI=1S/C21H15ClF3N3O2/c22-18-17(20(29)27-8-7-12-4-1-2-5-15(12)27)26-19-14(21(23,24)25)10-13(11-28(18)19)16-6-3-9-30-16/h1-6,9-11,20,29H,7-8H2
InChIKeyPTHBGFZORSXODW-UHFFFAOYSA-N
XLogP5.32
TPSA53.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.82
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 25190166
3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;N-(furan-3-ylmethyl)decan-1-amine
CID 160653860
3-chloro-6-(furan-2-yl)-N-[2-(3-morpholin-4-ylpropylamino)-2-oxo-1-thiophen-2-ylethyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 25190106
1-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-2,3-dihydroindole
CID 16553326
2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethanamine
CID 16791029
4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(2-fluorophenyl)piperazin-2-one
CID 51357289
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 108531995
1-[2-(furan-2-yl)-5,6-dihydrobenzo[b][1]benzazepin-11-yl]ethanone
CID 102047890
(3-aminopyrrolidin-1-yl)-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone
CID 68729034
[7-[chloro(difluoro)methyl]-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-(2,3-dihydroindol-1-yl)methanone
CID 4545927
3-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 46870987
N'-(4-chlorophenyl)-N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide
CID 7179064

Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(2,3-dihydroindol-1-yl)methanol?
The IUPAC name of [3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(2,3-dihydroindol-1-yl)methanol (CID 162600803) is [3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(2,3-dihydroindol-1-yl)methanol.
What is the SMILES notation for [3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(2,3-dihydroindol-1-yl)methanol?
The canonical SMILES for [3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(2,3-dihydroindol-1-yl)methanol is OC(c1nc2c(C(F)(F)F)cc(-c3ccco3)cn2c1Cl)N1CCc2ccccc21.
What is the InChIKey of [3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(2,3-dihydroindol-1-yl)methanol?
The InChIKey is PTHBGFZORSXODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF3N3O2/c22-18-17(20(29)27-8-7-12-4-1-2-5-15(12)27)26-19-14(21(23,24)25)10-13(11-28(18)19)16-6-3-9-30-16/h1-6,9-11,20,29H,7-8H2.
What are the key properties of [3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(2,3-dihydroindol-1-yl)methanol?
[3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(2,3-dihydroindol-1-yl)methanol has a molecular weight of 433.82 g/mol, XLogP of 5.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(2,3-dihydroindol-1-yl)methanol is sourced from PubChem (CID 162600803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).