N-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-2-fluoro-4-(3-methylpiperazin-1-yl)benzamide

C20H23FN6O — CID 90469366

IUPACN-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-2-fluoro-4-(3-methylpiperazin-1-yl)benzamide
SMILESCc1cn2cc(NC(=O)c3ccc(N4CCNC(C)C4)cc3F)nc2c(C)n1
InChIInChI=1S/C20H23FN6O/c1-12-9-26(7-6-22-12)15-4-5-16(17(21)8-15)20(28)25-18-11-27-10-13(2)23-14(3)19(27)24-18/h4-5,8,10-12,22H,6-7,9H2,1-3H3,(H,25,28)
InChIKeyZKLAQRFKZCJHJW-UHFFFAOYSA-N
MW382.44 g/mol
LogP2.54
Rot. Bonds3

About N-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-2-fluoro-4-(3-methylpiperazin-1-yl)benzamide

N-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-2-fluoro-4-(3-methylpiperazin-1-yl)benzamide (PubChem CID 90469366) has the molecular formula C20H23FN6O and a molecular weight of 382.44 g/mol. Its IUPAC name is N-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-2-fluoro-4-(3-methylpiperazin-1-yl)benzamide.

Molecular Properties

Compound NameN-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-2-fluoro-4-(3-methylpiperazin-1-yl)benzamide
PubChem CID90469366
Molecular FormulaC20H23FN6O
Molecular Weight382.44 g/mol
Exact Mass382.19
IUPAC NameN-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-2-fluoro-4-(3-methylpiperazin-1-yl)benzamide
SMILESCc1cn2cc(NC(=O)c3ccc(N4CCNC(C)C4)cc3F)nc2c(C)n1
InChIInChI=1S/C20H23FN6O/c1-12-9-26(7-6-22-12)15-4-5-16(17(21)8-15)20(28)25-18-11-27-10-13(2)23-14(3)19(27)24-18/h4-5,8,10-12,22H,6-7,9H2,1-3H3,(H,25,28)
InChIKeyZKLAQRFKZCJHJW-UHFFFAOYSA-N
XLogP2.54
TPSA74.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-2-fluoro-4-(3-methylpiperazin-1-yl)benzamide?
The IUPAC name of N-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-2-fluoro-4-(3-methylpiperazin-1-yl)benzamide (CID 90469366) is N-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-2-fluoro-4-(3-methylpiperazin-1-yl)benzamide.
What is the SMILES notation for N-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-2-fluoro-4-(3-methylpiperazin-1-yl)benzamide?
The canonical SMILES for N-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-2-fluoro-4-(3-methylpiperazin-1-yl)benzamide is Cc1cn2cc(NC(=O)c3ccc(N4CCNC(C)C4)cc3F)nc2c(C)n1.
What is the InChIKey of N-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-2-fluoro-4-(3-methylpiperazin-1-yl)benzamide?
The InChIKey is ZKLAQRFKZCJHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6O/c1-12-9-26(7-6-22-12)15-4-5-16(17(21)8-15)20(28)25-18-11-27-10-13(2)23-14(3)19(27)24-18/h4-5,8,10-12,22H,6-7,9H2,1-3H3,(H,25,28).
What are the key properties of N-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-2-fluoro-4-(3-methylpiperazin-1-yl)benzamide?
N-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-2-fluoro-4-(3-methylpiperazin-1-yl)benzamide has a molecular weight of 382.44 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-2-fluoro-4-(3-methylpiperazin-1-yl)benzamide is sourced from PubChem (CID 90469366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).