2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-[4-(2-methylindazol-5-yl)cyclohexyl]ethanol

C26H27FN4O — CID 134257772

IUPAC2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-[4-(2-methylindazol-5-yl)cyclohexyl]ethanol
SMILESCn1cc2cc(C3CCC(C(O)CC4c5c(F)cccc5-c5cncn54)CC3)ccc2n1
InChIInChI=1S/C26H27FN4O/c1-30-14-19-11-18(9-10-22(19)29-30)16-5-7-17(8-6-16)25(32)12-23-26-20(3-2-4-21(26)27)24-13-28-15-31(23)24/h2-4,9-11,13-17,23,25,32H,5-8,12H2,1H3
InChIKeyDFNCVTSKVNBNJV-UHFFFAOYSA-N
MW430.53 g/mol
LogP5.20
Rot. Bonds4

About 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-[4-(2-methylindazol-5-yl)cyclohexyl]ethanol

2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-[4-(2-methylindazol-5-yl)cyclohexyl]ethanol (PubChem CID 134257772) has the molecular formula C26H27FN4O and a molecular weight of 430.53 g/mol. Its IUPAC name is 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-[4-(2-methylindazol-5-yl)cyclohexyl]ethanol.

Molecular Properties

Compound Name2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-[4-(2-methylindazol-5-yl)cyclohexyl]ethanol
PubChem CID134257772
Molecular FormulaC26H27FN4O
Molecular Weight430.53 g/mol
Exact Mass430.22
IUPAC Name2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-[4-(2-methylindazol-5-yl)cyclohexyl]ethanol
SMILESCn1cc2cc(C3CCC(C(O)CC4c5c(F)cccc5-c5cncn54)CC3)ccc2n1
InChIInChI=1S/C26H27FN4O/c1-30-14-19-11-18(9-10-22(19)29-30)16-5-7-17(8-6-16)25(32)12-23-26-20(3-2-4-21(26)27)24-13-28-15-31(23)24/h2-4,9-11,13-17,23,25,32H,5-8,12H2,1H3
InChIKeyDFNCVTSKVNBNJV-UHFFFAOYSA-N
XLogP5.20
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.53
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-[4-(2-methylindazol-5-yl)cyclohexyl]ethanol?
The IUPAC name of 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-[4-(2-methylindazol-5-yl)cyclohexyl]ethanol (CID 134257772) is 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-[4-(2-methylindazol-5-yl)cyclohexyl]ethanol.
What is the SMILES notation for 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-[4-(2-methylindazol-5-yl)cyclohexyl]ethanol?
The canonical SMILES for 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-[4-(2-methylindazol-5-yl)cyclohexyl]ethanol is Cn1cc2cc(C3CCC(C(O)CC4c5c(F)cccc5-c5cncn54)CC3)ccc2n1.
What is the InChIKey of 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-[4-(2-methylindazol-5-yl)cyclohexyl]ethanol?
The InChIKey is DFNCVTSKVNBNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O/c1-30-14-19-11-18(9-10-22(19)29-30)16-5-7-17(8-6-16)25(32)12-23-26-20(3-2-4-21(26)27)24-13-28-15-31(23)24/h2-4,9-11,13-17,23,25,32H,5-8,12H2,1H3.
What are the key properties of 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-[4-(2-methylindazol-5-yl)cyclohexyl]ethanol?
2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-[4-(2-methylindazol-5-yl)cyclohexyl]ethanol has a molecular weight of 430.53 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-[4-(2-methylindazol-5-yl)cyclohexyl]ethanol is sourced from PubChem (CID 134257772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).