8-(3-cyclopropyl-1H-indol-7-yl)-7,9-difluoro-4,4-dimethyl-5H-tetrazolo[1,5-a]quinoxaline

C21H18F2N6 — CID 166039523

IUPAC8-(3-cyclopropyl-1H-indol-7-yl)-7,9-difluoro-4,4-dimethyl-5H-tetrazolo[1,5-a]quinoxaline
SMILESCC1(C)Nc2cc(F)c(-c3cccc4c(C5CC5)c[nH]c34)c(F)c2-n2nnnc21
InChIInChI=1S/C21H18F2N6/c1-21(2)20-26-27-28-29(20)19-15(25-21)8-14(22)16(17(19)23)12-5-3-4-11-13(10-6-7-10)9-24-18(11)12/h3-5,8-10,24-25H,6-7H2,1-2H3
InChIKeyWIKSNOORAVFRRU-UHFFFAOYSA-N
MW392.41 g/mol
LogP4.63
Rot. Bonds2

About 8-(3-cyclopropyl-1H-indol-7-yl)-7,9-difluoro-4,4-dimethyl-5H-tetrazolo[1,5-a]quinoxaline

8-(3-cyclopropyl-1H-indol-7-yl)-7,9-difluoro-4,4-dimethyl-5H-tetrazolo[1,5-a]quinoxaline (PubChem CID 166039523) has the molecular formula C21H18F2N6 and a molecular weight of 392.41 g/mol. Its IUPAC name is 8-(3-cyclopropyl-1H-indol-7-yl)-7,9-difluoro-4,4-dimethyl-5H-tetrazolo[1,5-a]quinoxaline.

Molecular Properties

Compound Name8-(3-cyclopropyl-1H-indol-7-yl)-7,9-difluoro-4,4-dimethyl-5H-tetrazolo[1,5-a]quinoxaline
PubChem CID166039523
Molecular FormulaC21H18F2N6
Molecular Weight392.41 g/mol
Exact Mass392.16
IUPAC Name8-(3-cyclopropyl-1H-indol-7-yl)-7,9-difluoro-4,4-dimethyl-5H-tetrazolo[1,5-a]quinoxaline
SMILESCC1(C)Nc2cc(F)c(-c3cccc4c(C5CC5)c[nH]c34)c(F)c2-n2nnnc21
InChIInChI=1S/C21H18F2N6/c1-21(2)20-26-27-28-29(20)19-15(25-21)8-14(22)16(17(19)23)12-5-3-4-11-13(10-6-7-10)9-24-18(11)12/h3-5,8-10,24-25H,6-7H2,1-2H3
InChIKeyWIKSNOORAVFRRU-UHFFFAOYSA-N
XLogP4.63
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(3-cyclopropyl-1H-indol-7-yl)-7,9-difluoro-4,4-dimethyl-5H-tetrazolo[1,5-a]quinoxaline?
The IUPAC name of 8-(3-cyclopropyl-1H-indol-7-yl)-7,9-difluoro-4,4-dimethyl-5H-tetrazolo[1,5-a]quinoxaline (CID 166039523) is 8-(3-cyclopropyl-1H-indol-7-yl)-7,9-difluoro-4,4-dimethyl-5H-tetrazolo[1,5-a]quinoxaline.
What is the SMILES notation for 8-(3-cyclopropyl-1H-indol-7-yl)-7,9-difluoro-4,4-dimethyl-5H-tetrazolo[1,5-a]quinoxaline?
The canonical SMILES for 8-(3-cyclopropyl-1H-indol-7-yl)-7,9-difluoro-4,4-dimethyl-5H-tetrazolo[1,5-a]quinoxaline is CC1(C)Nc2cc(F)c(-c3cccc4c(C5CC5)c[nH]c34)c(F)c2-n2nnnc21.
What is the InChIKey of 8-(3-cyclopropyl-1H-indol-7-yl)-7,9-difluoro-4,4-dimethyl-5H-tetrazolo[1,5-a]quinoxaline?
The InChIKey is WIKSNOORAVFRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N6/c1-21(2)20-26-27-28-29(20)19-15(25-21)8-14(22)16(17(19)23)12-5-3-4-11-13(10-6-7-10)9-24-18(11)12/h3-5,8-10,24-25H,6-7H2,1-2H3.
What are the key properties of 8-(3-cyclopropyl-1H-indol-7-yl)-7,9-difluoro-4,4-dimethyl-5H-tetrazolo[1,5-a]quinoxaline?
8-(3-cyclopropyl-1H-indol-7-yl)-7,9-difluoro-4,4-dimethyl-5H-tetrazolo[1,5-a]quinoxaline has a molecular weight of 392.41 g/mol, XLogP of 4.63, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-cyclopropyl-1H-indol-7-yl)-7,9-difluoro-4,4-dimethyl-5H-tetrazolo[1,5-a]quinoxaline is sourced from PubChem (CID 166039523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).