2-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-piperazin-1-ylbenzamide

C19H19F2N5O — CID 90468592

IUPAC2-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-piperazin-1-ylbenzamide
SMILESCc1cn2cc(NC(=O)c3ccc(N4CCNCC4)cc3F)cc(F)c2n1
InChIInChI=1S/C19H19F2N5O/c1-12-10-26-11-13(8-17(21)18(26)23-12)24-19(27)15-3-2-14(9-16(15)20)25-6-4-22-5-7-25/h2-3,8-11,22H,4-7H2,1H3,(H,24,27)
InChIKeyVGQGGSXEFWCYFA-UHFFFAOYSA-N
MW371.39 g/mol
LogP2.58
Rot. Bonds3

About 2-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-piperazin-1-ylbenzamide

2-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-piperazin-1-ylbenzamide (PubChem CID 90468592) has the molecular formula C19H19F2N5O and a molecular weight of 371.39 g/mol. Its IUPAC name is 2-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-piperazin-1-ylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-piperazin-1-ylbenzamide
PubChem CID90468592
Molecular FormulaC19H19F2N5O
Molecular Weight371.39 g/mol
Exact Mass371.16
IUPAC Name2-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-piperazin-1-ylbenzamide
SMILESCc1cn2cc(NC(=O)c3ccc(N4CCNCC4)cc3F)cc(F)c2n1
InChIInChI=1S/C19H19F2N5O/c1-12-10-26-11-13(8-17(21)18(26)23-12)24-19(27)15-3-2-14(9-16(15)20)25-6-4-22-5-7-25/h2-3,8-11,22H,4-7H2,1H3,(H,24,27)
InChIKeyVGQGGSXEFWCYFA-UHFFFAOYSA-N
XLogP2.58
TPSA61.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-piperazin-1-ylbenzamide?
The IUPAC name of 2-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-piperazin-1-ylbenzamide (CID 90468592) is 2-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-piperazin-1-ylbenzamide.
What is the SMILES notation for 2-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-piperazin-1-ylbenzamide?
The canonical SMILES for 2-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-piperazin-1-ylbenzamide is Cc1cn2cc(NC(=O)c3ccc(N4CCNCC4)cc3F)cc(F)c2n1.
What is the InChIKey of 2-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-piperazin-1-ylbenzamide?
The InChIKey is VGQGGSXEFWCYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5O/c1-12-10-26-11-13(8-17(21)18(26)23-12)24-19(27)15-3-2-14(9-16(15)20)25-6-4-22-5-7-25/h2-3,8-11,22H,4-7H2,1H3,(H,24,27).
What are the key properties of 2-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-piperazin-1-ylbenzamide?
2-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-piperazin-1-ylbenzamide has a molecular weight of 371.39 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-piperazin-1-ylbenzamide is sourced from PubChem (CID 90468592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).