7-bromo-3-(1-propylindol-3-yl)-4H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide

C17H15BrN4O2S — CID 57401892

IUPAC7-bromo-3-(1-propylindol-3-yl)-4H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide
SMILESCCCn1cc(C2=NS(=O)(=O)c3cc(Br)cnc3N2)c2ccccc21
InChIInChI=1S/C17H15BrN4O2S/c1-2-7-22-10-13(12-5-3-4-6-14(12)22)16-20-17-15(25(23,24)21-16)8-11(18)9-19-17/h3-6,8-10H,2,7H2,1H3,(H,19,20,21)
InChIKeyLZAJRVHJSCXKRB-UHFFFAOYSA-N
MW419.30 g/mol
LogP3.77
Rot. Bonds3

About 7-bromo-3-(1-propylindol-3-yl)-4H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide

7-bromo-3-(1-propylindol-3-yl)-4H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide (PubChem CID 57401892) has the molecular formula C17H15BrN4O2S and a molecular weight of 419.30 g/mol. Its IUPAC name is 7-bromo-3-(1-propylindol-3-yl)-4H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide.

Molecular Properties

Compound Name7-bromo-3-(1-propylindol-3-yl)-4H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide
PubChem CID57401892
Molecular FormulaC17H15BrN4O2S
Molecular Weight419.30 g/mol
Exact Mass418.01
IUPAC Name7-bromo-3-(1-propylindol-3-yl)-4H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide
SMILESCCCn1cc(C2=NS(=O)(=O)c3cc(Br)cnc3N2)c2ccccc21
InChIInChI=1S/C17H15BrN4O2S/c1-2-7-22-10-13(12-5-3-4-6-14(12)22)16-20-17-15(25(23,24)21-16)8-11(18)9-19-17/h3-6,8-10H,2,7H2,1H3,(H,19,20,21)
InChIKeyLZAJRVHJSCXKRB-UHFFFAOYSA-N
XLogP3.77
TPSA76.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.30
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-(1-propylindol-3-yl)-4H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide?
The IUPAC name of 7-bromo-3-(1-propylindol-3-yl)-4H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide (CID 57401892) is 7-bromo-3-(1-propylindol-3-yl)-4H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide.
What is the SMILES notation for 7-bromo-3-(1-propylindol-3-yl)-4H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide?
The canonical SMILES for 7-bromo-3-(1-propylindol-3-yl)-4H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide is CCCn1cc(C2=NS(=O)(=O)c3cc(Br)cnc3N2)c2ccccc21.
What is the InChIKey of 7-bromo-3-(1-propylindol-3-yl)-4H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide?
The InChIKey is LZAJRVHJSCXKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN4O2S/c1-2-7-22-10-13(12-5-3-4-6-14(12)22)16-20-17-15(25(23,24)21-16)8-11(18)9-19-17/h3-6,8-10H,2,7H2,1H3,(H,19,20,21).
What are the key properties of 7-bromo-3-(1-propylindol-3-yl)-4H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide?
7-bromo-3-(1-propylindol-3-yl)-4H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide has a molecular weight of 419.30 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-(1-propylindol-3-yl)-4H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide is sourced from PubChem (CID 57401892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).