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

C21H18FN5O — CID 90157287

IUPAC4-[6-[(4-fluoro-N-methylanilino)methyl]imidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESCN(Cc1cn2c(-c3ccc(C(N)=O)cc3)cnc2cn1)c1ccc(F)cc1
InChIInChI=1S/C21H18FN5O/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)
InChIKeyJTJLYMQYGKKMGN-UHFFFAOYSA-N
MW375.41 g/mol
LogP3.27
Rot. Bonds5

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

4-[6-[(4-fluoro-N-methylanilino)methyl]imidazo[1,2-a]pyrazin-3-yl]benzamide (PubChem CID 90157287) has the molecular formula C21H18FN5O and a molecular weight of 375.41 g/mol. Its IUPAC name is 4-[6-[(4-fluoro-N-methylanilino)methyl]imidazo[1,2-a]pyrazin-3-yl]benzamide.

Molecular Properties

Compound Name4-[6-[(4-fluoro-N-methylanilino)methyl]imidazo[1,2-a]pyrazin-3-yl]benzamide
PubChem CID90157287
Molecular FormulaC21H18FN5O
Molecular Weight375.41 g/mol
Exact Mass375.15
IUPAC Name4-[6-[(4-fluoro-N-methylanilino)methyl]imidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESCN(Cc1cn2c(-c3ccc(C(N)=O)cc3)cnc2cn1)c1ccc(F)cc1
InChIInChI=1S/C21H18FN5O/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)
InChIKeyJTJLYMQYGKKMGN-UHFFFAOYSA-N
XLogP3.27
TPSA76.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[(4-fluoro-N-methylanilino)methyl]imidazo[1,2-a]pyrazin-3-yl]benzamide?
The IUPAC name of 4-[6-[(4-fluoro-N-methylanilino)methyl]imidazo[1,2-a]pyrazin-3-yl]benzamide (CID 90157287) is 4-[6-[(4-fluoro-N-methylanilino)methyl]imidazo[1,2-a]pyrazin-3-yl]benzamide.
What is the SMILES notation for 4-[6-[(4-fluoro-N-methylanilino)methyl]imidazo[1,2-a]pyrazin-3-yl]benzamide?
The canonical SMILES for 4-[6-[(4-fluoro-N-methylanilino)methyl]imidazo[1,2-a]pyrazin-3-yl]benzamide is CN(Cc1cn2c(-c3ccc(C(N)=O)cc3)cnc2cn1)c1ccc(F)cc1.
What is the InChIKey of 4-[6-[(4-fluoro-N-methylanilino)methyl]imidazo[1,2-a]pyrazin-3-yl]benzamide?
The InChIKey is JTJLYMQYGKKMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O/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-fluoro-N-methylanilino)methyl]imidazo[1,2-a]pyrazin-3-yl]benzamide?
4-[6-[(4-fluoro-N-methylanilino)methyl]imidazo[1,2-a]pyrazin-3-yl]benzamide has a molecular weight of 375.41 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(4-fluoro-N-methylanilino)methyl]imidazo[1,2-a]pyrazin-3-yl]benzamide is sourced from PubChem (CID 90157287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).