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N-[6-[3-(2,3-dihydro-1,3,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazin-2-yl]-N',N'-dimethylethane-1,2-diamine

C18H21N7O — CID 156904312

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[6-[3-(2,3-dihydro-1,3,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazin-2-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1cncc(-c2ccc3[nH]cc(C4=NNCO4)c3c2)n1
InChIInChI=1S/C18H21N7O/c1-25(2)6-5-20-17-10-19-9-16(23-17)12-3-4-15-13(7-12)14(8-21-15)18-24-22-11-26-18/h3-4,7-10,21-22H,5-6,11H2,1-2H3,(H,20,23)
InChIKeyDMBGDZSVHQCLCV-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.84
Rot. Bonds6

About N-[6-[3-(2,3-dihydro-1,3,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazin-2-yl]-N',N'-dimethylethane-1,2-diamine

N-[6-[3-(2,3-dihydro-1,3,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazin-2-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 156904312) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[6-[3-(2,3-dihydro-1,3,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazin-2-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[6-[3-(2,3-dihydro-1,3,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazin-2-yl]-N',N'-dimethylethane-1,2-diamine
PubChem CID156904312
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC NameN-[6-[3-(2,3-dihydro-1,3,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazin-2-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1cncc(-c2ccc3[nH]cc(C4=NNCO4)c3c2)n1
InChIInChI=1S/C18H21N7O/c1-25(2)6-5-20-17-10-19-9-16(23-17)12-3-4-15-13(7-12)14(8-21-15)18-24-22-11-26-18/h3-4,7-10,21-22H,5-6,11H2,1-2H3,(H,20,23)
InChIKeyDMBGDZSVHQCLCV-UHFFFAOYSA-N
XLogP1.84
TPSA90.46 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[6-[3-(2,3-dihydro-1,3,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazin-2-yl]-N',N'-dimethylethane-1,2-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-[3-(2,3-dihydro-1,3,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazin-2-yl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[6-[3-(2,3-dihydro-1,3,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazin-2-yl]-N',N'-dimethylethane-1,2-diamine (CID 156904312) is N-[6-[3-(2,3-dihydro-1,3,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazin-2-yl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[6-[3-(2,3-dihydro-1,3,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazin-2-yl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[6-[3-(2,3-dihydro-1,3,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazin-2-yl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNc1cncc(-c2ccc3[nH]cc(C4=NNCO4)c3c2)n1.
What is the InChIKey of N-[6-[3-(2,3-dihydro-1,3,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazin-2-yl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is DMBGDZSVHQCLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O/c1-25(2)6-5-20-17-10-19-9-16(23-17)12-3-4-15-13(7-12)14(8-21-15)18-24-22-11-26-18/h3-4,7-10,21-22H,5-6,11H2,1-2H3,(H,20,23).
What are the key properties of N-[6-[3-(2,3-dihydro-1,3,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazin-2-yl]-N',N'-dimethylethane-1,2-diamine?
N-[6-[3-(2,3-dihydro-1,3,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazin-2-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 351.41 g/mol, XLogP of 1.84, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-(2,3-dihydro-1,3,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazin-2-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 156904312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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