2,5-difluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-(3-methylpiperazin-1-yl)benzamide

C20H20F3N5O — CID 90468665

IUPAC2,5-difluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-(3-methylpiperazin-1-yl)benzamide
SMILESCc1cn2cc(NC(=O)c3cc(F)c(N4CCNC(C)C4)cc3F)cc(F)c2n1
InChIInChI=1S/C20H20F3N5O/c1-11-8-27(4-3-24-11)18-7-15(21)14(6-16(18)22)20(29)26-13-5-17(23)19-25-12(2)9-28(19)10-13/h5-7,9-11,24H,3-4,8H2,1-2H3,(H,26,29)
InChIKeyHFOKVKNPEMHSJN-UHFFFAOYSA-N
MW403.41 g/mol
LogP3.11
Rot. Bonds3

About 2,5-difluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-(3-methylpiperazin-1-yl)benzamide

2,5-difluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-(3-methylpiperazin-1-yl)benzamide (PubChem CID 90468665) has the molecular formula C20H20F3N5O and a molecular weight of 403.41 g/mol. Its IUPAC name is 2,5-difluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-(3-methylpiperazin-1-yl)benzamide.

Molecular Properties

Compound Name2,5-difluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-(3-methylpiperazin-1-yl)benzamide
PubChem CID90468665
Molecular FormulaC20H20F3N5O
Molecular Weight403.41 g/mol
Exact Mass403.16
IUPAC Name2,5-difluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-(3-methylpiperazin-1-yl)benzamide
SMILESCc1cn2cc(NC(=O)c3cc(F)c(N4CCNC(C)C4)cc3F)cc(F)c2n1
InChIInChI=1S/C20H20F3N5O/c1-11-8-27(4-3-24-11)18-7-15(21)14(6-16(18)22)20(29)26-13-5-17(23)19-25-12(2)9-28(19)10-13/h5-7,9-11,24H,3-4,8H2,1-2H3,(H,26,29)
InChIKeyHFOKVKNPEMHSJN-UHFFFAOYSA-N
XLogP3.11
TPSA61.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-(3-methylpiperazin-1-yl)benzamide?
The IUPAC name of 2,5-difluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-(3-methylpiperazin-1-yl)benzamide (CID 90468665) is 2,5-difluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-(3-methylpiperazin-1-yl)benzamide.
What is the SMILES notation for 2,5-difluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-(3-methylpiperazin-1-yl)benzamide?
The canonical SMILES for 2,5-difluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-(3-methylpiperazin-1-yl)benzamide is Cc1cn2cc(NC(=O)c3cc(F)c(N4CCNC(C)C4)cc3F)cc(F)c2n1.
What is the InChIKey of 2,5-difluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-(3-methylpiperazin-1-yl)benzamide?
The InChIKey is HFOKVKNPEMHSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O/c1-11-8-27(4-3-24-11)18-7-15(21)14(6-16(18)22)20(29)26-13-5-17(23)19-25-12(2)9-28(19)10-13/h5-7,9-11,24H,3-4,8H2,1-2H3,(H,26,29).
What are the key properties of 2,5-difluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-(3-methylpiperazin-1-yl)benzamide?
2,5-difluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-(3-methylpiperazin-1-yl)benzamide has a molecular weight of 403.41 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-(3-methylpiperazin-1-yl)benzamide is sourced from PubChem (CID 90468665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).