2,3-difluoro-N-(2-methylimidazo[1,2-a]pyrazin-6-yl)-4-(3-methylpiperazin-1-yl)benzamide

C19H20F2N6O — CID 118609668

IUPAC2,3-difluoro-N-(2-methylimidazo[1,2-a]pyrazin-6-yl)-4-(3-methylpiperazin-1-yl)benzamide
SMILESCc1cn2cc(NC(=O)c3ccc(N4CCNC(C)C4)c(F)c3F)ncc2n1
InChIInChI=1S/C19H20F2N6O/c1-11-8-26(6-5-22-11)14-4-3-13(17(20)18(14)21)19(28)25-15-10-27-9-12(2)24-16(27)7-23-15/h3-4,7,9-11,22H,5-6,8H2,1-2H3,(H,25,28)
InChIKeyLYOXXWWGQVUGJN-UHFFFAOYSA-N
MW386.41 g/mol
LogP2.37
Rot. Bonds3

About 2,3-difluoro-N-(2-methylimidazo[1,2-a]pyrazin-6-yl)-4-(3-methylpiperazin-1-yl)benzamide

2,3-difluoro-N-(2-methylimidazo[1,2-a]pyrazin-6-yl)-4-(3-methylpiperazin-1-yl)benzamide (PubChem CID 118609668) has the molecular formula C19H20F2N6O and a molecular weight of 386.41 g/mol. Its IUPAC name is 2,3-difluoro-N-(2-methylimidazo[1,2-a]pyrazin-6-yl)-4-(3-methylpiperazin-1-yl)benzamide.

Molecular Properties

Compound Name2,3-difluoro-N-(2-methylimidazo[1,2-a]pyrazin-6-yl)-4-(3-methylpiperazin-1-yl)benzamide
PubChem CID118609668
Molecular FormulaC19H20F2N6O
Molecular Weight386.41 g/mol
Exact Mass386.17
IUPAC Name2,3-difluoro-N-(2-methylimidazo[1,2-a]pyrazin-6-yl)-4-(3-methylpiperazin-1-yl)benzamide
SMILESCc1cn2cc(NC(=O)c3ccc(N4CCNC(C)C4)c(F)c3F)ncc2n1
InChIInChI=1S/C19H20F2N6O/c1-11-8-26(6-5-22-11)14-4-3-13(17(20)18(14)21)19(28)25-15-10-27-9-12(2)24-16(27)7-23-15/h3-4,7,9-11,22H,5-6,8H2,1-2H3,(H,25,28)
InChIKeyLYOXXWWGQVUGJN-UHFFFAOYSA-N
XLogP2.37
TPSA74.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-(2-methylimidazo[1,2-a]pyrazin-6-yl)-4-(3-methylpiperazin-1-yl)benzamide?
The IUPAC name of 2,3-difluoro-N-(2-methylimidazo[1,2-a]pyrazin-6-yl)-4-(3-methylpiperazin-1-yl)benzamide (CID 118609668) is 2,3-difluoro-N-(2-methylimidazo[1,2-a]pyrazin-6-yl)-4-(3-methylpiperazin-1-yl)benzamide.
What is the SMILES notation for 2,3-difluoro-N-(2-methylimidazo[1,2-a]pyrazin-6-yl)-4-(3-methylpiperazin-1-yl)benzamide?
The canonical SMILES for 2,3-difluoro-N-(2-methylimidazo[1,2-a]pyrazin-6-yl)-4-(3-methylpiperazin-1-yl)benzamide is Cc1cn2cc(NC(=O)c3ccc(N4CCNC(C)C4)c(F)c3F)ncc2n1.
What is the InChIKey of 2,3-difluoro-N-(2-methylimidazo[1,2-a]pyrazin-6-yl)-4-(3-methylpiperazin-1-yl)benzamide?
The InChIKey is LYOXXWWGQVUGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N6O/c1-11-8-26(6-5-22-11)14-4-3-13(17(20)18(14)21)19(28)25-15-10-27-9-12(2)24-16(27)7-23-15/h3-4,7,9-11,22H,5-6,8H2,1-2H3,(H,25,28).
What are the key properties of 2,3-difluoro-N-(2-methylimidazo[1,2-a]pyrazin-6-yl)-4-(3-methylpiperazin-1-yl)benzamide?
2,3-difluoro-N-(2-methylimidazo[1,2-a]pyrazin-6-yl)-4-(3-methylpiperazin-1-yl)benzamide has a molecular weight of 386.41 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-(2-methylimidazo[1,2-a]pyrazin-6-yl)-4-(3-methylpiperazin-1-yl)benzamide is sourced from PubChem (CID 118609668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).