8-(1-cyclopropylindol-4-yl)-7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline

C24H24FN5 — CID 146302014

IUPAC8-(1-cyclopropylindol-4-yl)-7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCc1c(-c2cccc3c2ccn3C2CC2)c(F)cc2c1-n1c(C)nnc1C(C)(C)N2
InChIInChI=1S/C24H24FN5/c1-13-21(17-6-5-7-20-16(17)10-11-29(20)15-8-9-15)18(25)12-19-22(13)30-14(2)27-28-23(30)24(3,4)26-19/h5-7,10-12,15,26H,8-9H2,1-4H3
InChIKeyBPOMNLPHHGLRSO-UHFFFAOYSA-N
MW401.49 g/mol
LogP5.64
Rot. Bonds2

About 8-(1-cyclopropylindol-4-yl)-7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline

8-(1-cyclopropylindol-4-yl)-7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline (PubChem CID 146302014) has the molecular formula C24H24FN5 and a molecular weight of 401.49 g/mol. Its IUPAC name is 8-(1-cyclopropylindol-4-yl)-7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline.

Molecular Properties

Compound Name8-(1-cyclopropylindol-4-yl)-7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline
PubChem CID146302014
Molecular FormulaC24H24FN5
Molecular Weight401.49 g/mol
Exact Mass401.20
IUPAC Name8-(1-cyclopropylindol-4-yl)-7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCc1c(-c2cccc3c2ccn3C2CC2)c(F)cc2c1-n1c(C)nnc1C(C)(C)N2
InChIInChI=1S/C24H24FN5/c1-13-21(17-6-5-7-20-16(17)10-11-29(20)15-8-9-15)18(25)12-19-22(13)30-14(2)27-28-23(30)24(3,4)26-19/h5-7,10-12,15,26H,8-9H2,1-4H3
InChIKeyBPOMNLPHHGLRSO-UHFFFAOYSA-N
XLogP5.64
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.49
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(1-cyclopropylindol-4-yl)-7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline?
The IUPAC name of 8-(1-cyclopropylindol-4-yl)-7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline (CID 146302014) is 8-(1-cyclopropylindol-4-yl)-7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline.
What is the SMILES notation for 8-(1-cyclopropylindol-4-yl)-7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline?
The canonical SMILES for 8-(1-cyclopropylindol-4-yl)-7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline is Cc1c(-c2cccc3c2ccn3C2CC2)c(F)cc2c1-n1c(C)nnc1C(C)(C)N2.
What is the InChIKey of 8-(1-cyclopropylindol-4-yl)-7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline?
The InChIKey is BPOMNLPHHGLRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5/c1-13-21(17-6-5-7-20-16(17)10-11-29(20)15-8-9-15)18(25)12-19-22(13)30-14(2)27-28-23(30)24(3,4)26-19/h5-7,10-12,15,26H,8-9H2,1-4H3.
What are the key properties of 8-(1-cyclopropylindol-4-yl)-7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline?
8-(1-cyclopropylindol-4-yl)-7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline has a molecular weight of 401.49 g/mol, XLogP of 5.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-cyclopropylindol-4-yl)-7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline is sourced from PubChem (CID 146302014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).