4-[6-[(4-chloro-N-methylanilino)methyl]imidazo[1,2-a]pyrazin-3-yl]benzamide

C21H18ClN5O — CID 90157519

IUPAC4-[6-[(4-chloro-N-methylanilino)methyl]imidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESCN(Cc1cn2c(-c3ccc(C(N)=O)cc3)cnc2cn1)c1ccc(Cl)cc1
InChIInChI=1S/C21H18ClN5O/c1-26(18-8-6-16(22)7-9-18)12-17-13-27-19(10-25-20(27)11-24-17)14-2-4-15(5-3-14)21(23)28/h2-11,13H,12H2,1H3,(H2,23,28)
InChIKeyQYLUHYIOPJYTAY-UHFFFAOYSA-N
MW391.86 g/mol
LogP3.79
Rot. Bonds5

About 4-[6-[(4-chloro-N-methylanilino)methyl]imidazo[1,2-a]pyrazin-3-yl]benzamide

4-[6-[(4-chloro-N-methylanilino)methyl]imidazo[1,2-a]pyrazin-3-yl]benzamide (PubChem CID 90157519) has the molecular formula C21H18ClN5O and a molecular weight of 391.86 g/mol. Its IUPAC name is 4-[6-[(4-chloro-N-methylanilino)methyl]imidazo[1,2-a]pyrazin-3-yl]benzamide.

Molecular Properties

Compound Name4-[6-[(4-chloro-N-methylanilino)methyl]imidazo[1,2-a]pyrazin-3-yl]benzamide
PubChem CID90157519
Molecular FormulaC21H18ClN5O
Molecular Weight391.86 g/mol
Exact Mass391.12
IUPAC Name4-[6-[(4-chloro-N-methylanilino)methyl]imidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESCN(Cc1cn2c(-c3ccc(C(N)=O)cc3)cnc2cn1)c1ccc(Cl)cc1
InChIInChI=1S/C21H18ClN5O/c1-26(18-8-6-16(22)7-9-18)12-17-13-27-19(10-25-20(27)11-24-17)14-2-4-15(5-3-14)21(23)28/h2-11,13H,12H2,1H3,(H2,23,28)
InChIKeyQYLUHYIOPJYTAY-UHFFFAOYSA-N
XLogP3.79
TPSA76.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[(4-chloro-N-methylanilino)methyl]imidazo[1,2-a]pyrazin-3-yl]benzamide?
The IUPAC name of 4-[6-[(4-chloro-N-methylanilino)methyl]imidazo[1,2-a]pyrazin-3-yl]benzamide (CID 90157519) is 4-[6-[(4-chloro-N-methylanilino)methyl]imidazo[1,2-a]pyrazin-3-yl]benzamide.
What is the SMILES notation for 4-[6-[(4-chloro-N-methylanilino)methyl]imidazo[1,2-a]pyrazin-3-yl]benzamide?
The canonical SMILES for 4-[6-[(4-chloro-N-methylanilino)methyl]imidazo[1,2-a]pyrazin-3-yl]benzamide is CN(Cc1cn2c(-c3ccc(C(N)=O)cc3)cnc2cn1)c1ccc(Cl)cc1.
What is the InChIKey of 4-[6-[(4-chloro-N-methylanilino)methyl]imidazo[1,2-a]pyrazin-3-yl]benzamide?
The InChIKey is QYLUHYIOPJYTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN5O/c1-26(18-8-6-16(22)7-9-18)12-17-13-27-19(10-25-20(27)11-24-17)14-2-4-15(5-3-14)21(23)28/h2-11,13H,12H2,1H3,(H2,23,28).
What are the key properties of 4-[6-[(4-chloro-N-methylanilino)methyl]imidazo[1,2-a]pyrazin-3-yl]benzamide?
4-[6-[(4-chloro-N-methylanilino)methyl]imidazo[1,2-a]pyrazin-3-yl]benzamide has a molecular weight of 391.86 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(4-chloro-N-methylanilino)methyl]imidazo[1,2-a]pyrazin-3-yl]benzamide is sourced from PubChem (CID 90157519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).