4-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide

C24H23N5O3 — CID 135316325

IUPAC4-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide
SMILESCN(C)CCNC(=O)c1ccc(-c2cn3c(-c4ccc5c(c4)OCO5)cnc3cn2)cc1
InChIInChI=1S/C24H23N5O3/c1-28(2)10-9-25-24(30)17-5-3-16(4-6-17)19-14-29-20(12-27-23(29)13-26-19)18-7-8-21-22(11-18)32-15-31-21/h3-8,11-14H,9-10,15H2,1-2H3,(H,25,30)
InChIKeyKXOAKQAYQKVIJZ-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.08
Rot. Bonds6

About 4-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide

4-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide (PubChem CID 135316325) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is 4-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide
PubChem CID135316325
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC Name4-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide
SMILESCN(C)CCNC(=O)c1ccc(-c2cn3c(-c4ccc5c(c4)OCO5)cnc3cn2)cc1
InChIInChI=1S/C24H23N5O3/c1-28(2)10-9-25-24(30)17-5-3-16(4-6-17)19-14-29-20(12-27-23(29)13-26-19)18-7-8-21-22(11-18)32-15-31-21/h3-8,11-14H,9-10,15H2,1-2H3,(H,25,30)
InChIKeyKXOAKQAYQKVIJZ-UHFFFAOYSA-N
XLogP3.08
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide?
The IUPAC name of 4-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide (CID 135316325) is 4-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide.
What is the SMILES notation for 4-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide?
The canonical SMILES for 4-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide is CN(C)CCNC(=O)c1ccc(-c2cn3c(-c4ccc5c(c4)OCO5)cnc3cn2)cc1.
What is the InChIKey of 4-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide?
The InChIKey is KXOAKQAYQKVIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-28(2)10-9-25-24(30)17-5-3-16(4-6-17)19-14-29-20(12-27-23(29)13-26-19)18-7-8-21-22(11-18)32-15-31-21/h3-8,11-14H,9-10,15H2,1-2H3,(H,25,30).
What are the key properties of 4-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide?
4-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide has a molecular weight of 429.48 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide is sourced from PubChem (CID 135316325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).