N-[2-(diethylamino)ethyl]-4-[[5-(furan-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzamide

C23H26N6O2 — CID 24857263

IUPACN-[2-(diethylamino)ethyl]-4-[[5-(furan-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(Nc2ncc(-c3ccoc3)n3ccnc23)cc1
InChIInChI=1S/C23H26N6O2/c1-3-28(4-2)12-10-25-23(30)17-5-7-19(8-6-17)27-21-22-24-11-13-29(22)20(15-26-21)18-9-14-31-16-18/h5-9,11,13-16H,3-4,10,12H2,1-2H3,(H,25,30)(H,26,27)
InChIKeyYQRKGVHJALFSIT-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.80
Rot. Bonds9

About N-[2-(diethylamino)ethyl]-4-[[5-(furan-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzamide

N-[2-(diethylamino)ethyl]-4-[[5-(furan-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzamide (PubChem CID 24857263) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-[[5-(furan-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-4-[[5-(furan-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzamide
PubChem CID24857263
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC NameN-[2-(diethylamino)ethyl]-4-[[5-(furan-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(Nc2ncc(-c3ccoc3)n3ccnc23)cc1
InChIInChI=1S/C23H26N6O2/c1-3-28(4-2)12-10-25-23(30)17-5-7-19(8-6-17)27-21-22-24-11-13-29(22)20(15-26-21)18-9-14-31-16-18/h5-9,11,13-16H,3-4,10,12H2,1-2H3,(H,25,30)(H,26,27)
InChIKeyYQRKGVHJALFSIT-UHFFFAOYSA-N
XLogP3.80
TPSA87.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-4-[[5-(furan-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-4-[[5-(furan-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzamide (CID 24857263) is N-[2-(diethylamino)ethyl]-4-[[5-(furan-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-[[5-(furan-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-4-[[5-(furan-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzamide is CCN(CC)CCNC(=O)c1ccc(Nc2ncc(-c3ccoc3)n3ccnc23)cc1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-4-[[5-(furan-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzamide?
The InChIKey is YQRKGVHJALFSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-3-28(4-2)12-10-25-23(30)17-5-7-19(8-6-17)27-21-22-24-11-13-29(22)20(15-26-21)18-9-14-31-16-18/h5-9,11,13-16H,3-4,10,12H2,1-2H3,(H,25,30)(H,26,27).
What are the key properties of N-[2-(diethylamino)ethyl]-4-[[5-(furan-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzamide?
N-[2-(diethylamino)ethyl]-4-[[5-(furan-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzamide has a molecular weight of 418.50 g/mol, XLogP of 3.80, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-4-[[5-(furan-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzamide is sourced from PubChem (CID 24857263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).