1-N-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine

C21H19N5O2 — CID 46242007

IUPAC1-N-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine
SMILESCN(C)c1cccc(Nc2nccn3c(-c4ccc5c(c4)OCO5)cnc23)c1
InChIInChI=1S/C21H19N5O2/c1-25(2)16-5-3-4-15(11-16)24-20-21-23-12-17(26(21)9-8-22-20)14-6-7-18-19(10-14)28-13-27-18/h3-12H,13H2,1-2H3,(H,22,24)
InChIKeyVSZJKFPJNIVLLX-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.93
Rot. Bonds4

About 1-N-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine

1-N-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine (PubChem CID 46242007) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 1-N-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine
PubChem CID46242007
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name1-N-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine
SMILESCN(C)c1cccc(Nc2nccn3c(-c4ccc5c(c4)OCO5)cnc23)c1
InChIInChI=1S/C21H19N5O2/c1-25(2)16-5-3-4-15(11-16)24-20-21-23-12-17(26(21)9-8-22-20)14-6-7-18-19(10-14)28-13-27-18/h3-12H,13H2,1-2H3,(H,22,24)
InChIKeyVSZJKFPJNIVLLX-UHFFFAOYSA-N
XLogP3.93
TPSA63.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-N-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine?
The IUPAC name of 1-N-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine (CID 46242007) is 1-N-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine.
What is the SMILES notation for 1-N-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine?
The canonical SMILES for 1-N-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine is CN(C)c1cccc(Nc2nccn3c(-c4ccc5c(c4)OCO5)cnc23)c1.
What is the InChIKey of 1-N-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine?
The InChIKey is VSZJKFPJNIVLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-25(2)16-5-3-4-15(11-16)24-20-21-23-12-17(26(21)9-8-22-20)14-6-7-18-19(10-14)28-13-27-18/h3-12H,13H2,1-2H3,(H,22,24).
What are the key properties of 1-N-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine?
1-N-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine has a molecular weight of 373.42 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine is sourced from PubChem (CID 46242007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).