2-[4-(9-ethyl-7-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)-6-fluoroindol-1-yl]ethanol

C24H25F2N5O — CID 146302059

IUPAC2-[4-(9-ethyl-7-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)-6-fluoroindol-1-yl]ethanol
SMILESCCc1c(-c2cc(F)cc3c2ccn3CCO)c(F)cc2c1-n1c(C)nnc1C(C)(C)N2
InChIInChI=1S/C24H25F2N5O/c1-5-15-21(17-10-14(25)11-20-16(17)6-7-30(20)8-9-32)18(26)12-19-22(15)31-13(2)28-29-23(31)24(3,4)27-19/h6-7,10-12,27,32H,5,8-9H2,1-4H3
InChIKeyMBPAHYHLIRTEQE-UHFFFAOYSA-N
MW437.49 g/mol
LogP4.69
Rot. Bonds4

About 2-[4-(9-ethyl-7-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)-6-fluoroindol-1-yl]ethanol

2-[4-(9-ethyl-7-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)-6-fluoroindol-1-yl]ethanol (PubChem CID 146302059) has the molecular formula C24H25F2N5O and a molecular weight of 437.49 g/mol. Its IUPAC name is 2-[4-(9-ethyl-7-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)-6-fluoroindol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(9-ethyl-7-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)-6-fluoroindol-1-yl]ethanol
PubChem CID146302059
Molecular FormulaC24H25F2N5O
Molecular Weight437.49 g/mol
Exact Mass437.20
IUPAC Name2-[4-(9-ethyl-7-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)-6-fluoroindol-1-yl]ethanol
SMILESCCc1c(-c2cc(F)cc3c2ccn3CCO)c(F)cc2c1-n1c(C)nnc1C(C)(C)N2
InChIInChI=1S/C24H25F2N5O/c1-5-15-21(17-10-14(25)11-20-16(17)6-7-30(20)8-9-32)18(26)12-19-22(15)31-13(2)28-29-23(31)24(3,4)27-19/h6-7,10-12,27,32H,5,8-9H2,1-4H3
InChIKeyMBPAHYHLIRTEQE-UHFFFAOYSA-N
XLogP4.69
TPSA67.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.49
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(9-ethyl-7-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)-6-fluoroindol-1-yl]ethanol?
The IUPAC name of 2-[4-(9-ethyl-7-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)-6-fluoroindol-1-yl]ethanol (CID 146302059) is 2-[4-(9-ethyl-7-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)-6-fluoroindol-1-yl]ethanol.
What is the SMILES notation for 2-[4-(9-ethyl-7-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)-6-fluoroindol-1-yl]ethanol?
The canonical SMILES for 2-[4-(9-ethyl-7-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)-6-fluoroindol-1-yl]ethanol is CCc1c(-c2cc(F)cc3c2ccn3CCO)c(F)cc2c1-n1c(C)nnc1C(C)(C)N2.
What is the InChIKey of 2-[4-(9-ethyl-7-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)-6-fluoroindol-1-yl]ethanol?
The InChIKey is MBPAHYHLIRTEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N5O/c1-5-15-21(17-10-14(25)11-20-16(17)6-7-30(20)8-9-32)18(26)12-19-22(15)31-13(2)28-29-23(31)24(3,4)27-19/h6-7,10-12,27,32H,5,8-9H2,1-4H3.
What are the key properties of 2-[4-(9-ethyl-7-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)-6-fluoroindol-1-yl]ethanol?
2-[4-(9-ethyl-7-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)-6-fluoroindol-1-yl]ethanol has a molecular weight of 437.49 g/mol, XLogP of 4.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(9-ethyl-7-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)-6-fluoroindol-1-yl]ethanol is sourced from PubChem (CID 146302059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).