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

C20H22FN5O — CID 90469444

IUPAC2-fluoro-N-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-(3-methylpiperazin-1-yl)benzamide
SMILESCc1cn2cc(NC(=O)c3ccc(N4CCNC(C)C4)cc3F)ccc2n1
InChIInChI=1S/C20H22FN5O/c1-13-10-25(8-7-22-13)16-4-5-17(18(21)9-16)20(27)24-15-3-6-19-23-14(2)11-26(19)12-15/h3-6,9,11-13,22H,7-8,10H2,1-2H3,(H,24,27)
InChIKeyCDFYPSURDFQWHV-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.83
Rot. Bonds3

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

2-fluoro-N-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-(3-methylpiperazin-1-yl)benzamide (PubChem CID 90469444) has the molecular formula C20H22FN5O and a molecular weight of 367.43 g/mol. Its IUPAC name is 2-fluoro-N-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-(3-methylpiperazin-1-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-(3-methylpiperazin-1-yl)benzamide
PubChem CID90469444
Molecular FormulaC20H22FN5O
Molecular Weight367.43 g/mol
Exact Mass367.18
IUPAC Name2-fluoro-N-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-(3-methylpiperazin-1-yl)benzamide
SMILESCc1cn2cc(NC(=O)c3ccc(N4CCNC(C)C4)cc3F)ccc2n1
InChIInChI=1S/C20H22FN5O/c1-13-10-25(8-7-22-13)16-4-5-17(18(21)9-16)20(27)24-15-3-6-19-23-14(2)11-26(19)12-15/h3-6,9,11-13,22H,7-8,10H2,1-2H3,(H,24,27)
InChIKeyCDFYPSURDFQWHV-UHFFFAOYSA-N
XLogP2.83
TPSA61.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-(3-methylpiperazin-1-yl)benzamide?
The IUPAC name of 2-fluoro-N-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-(3-methylpiperazin-1-yl)benzamide (CID 90469444) is 2-fluoro-N-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-(3-methylpiperazin-1-yl)benzamide.
What is the SMILES notation for 2-fluoro-N-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-(3-methylpiperazin-1-yl)benzamide?
The canonical SMILES for 2-fluoro-N-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-(3-methylpiperazin-1-yl)benzamide is Cc1cn2cc(NC(=O)c3ccc(N4CCNC(C)C4)cc3F)ccc2n1.
What is the InChIKey of 2-fluoro-N-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-(3-methylpiperazin-1-yl)benzamide?
The InChIKey is CDFYPSURDFQWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O/c1-13-10-25(8-7-22-13)16-4-5-17(18(21)9-16)20(27)24-15-3-6-19-23-14(2)11-26(19)12-15/h3-6,9,11-13,22H,7-8,10H2,1-2H3,(H,24,27).
What are the key properties of 2-fluoro-N-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-(3-methylpiperazin-1-yl)benzamide?
2-fluoro-N-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-(3-methylpiperazin-1-yl)benzamide has a molecular weight of 367.43 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-(3-methylpiperazin-1-yl)benzamide is sourced from PubChem (CID 90469444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).