N-(2,7-dimethylimidazo[1,2-a]pyridin-6-yl)-2-fluoro-4-(3-methylpiperazin-1-yl)benzamide

C21H24FN5O — CID 90468670

IUPACN-(2,7-dimethylimidazo[1,2-a]pyridin-6-yl)-2-fluoro-4-(3-methylpiperazin-1-yl)benzamide
SMILESCc1cn2cc(NC(=O)c3ccc(N4CCNC(C)C4)cc3F)c(C)cc2n1
InChIInChI=1S/C21H24FN5O/c1-13-8-20-24-15(3)11-27(20)12-19(13)25-21(28)17-5-4-16(9-18(17)22)26-7-6-23-14(2)10-26/h4-5,8-9,11-12,14,23H,6-7,10H2,1-3H3,(H,25,28)
InChIKeyPPAJLPPPZFCQSD-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.14
Rot. Bonds3

About N-(2,7-dimethylimidazo[1,2-a]pyridin-6-yl)-2-fluoro-4-(3-methylpiperazin-1-yl)benzamide

N-(2,7-dimethylimidazo[1,2-a]pyridin-6-yl)-2-fluoro-4-(3-methylpiperazin-1-yl)benzamide (PubChem CID 90468670) has the molecular formula C21H24FN5O and a molecular weight of 381.46 g/mol. Its IUPAC name is N-(2,7-dimethylimidazo[1,2-a]pyridin-6-yl)-2-fluoro-4-(3-methylpiperazin-1-yl)benzamide.

Molecular Properties

Compound NameN-(2,7-dimethylimidazo[1,2-a]pyridin-6-yl)-2-fluoro-4-(3-methylpiperazin-1-yl)benzamide
PubChem CID90468670
Molecular FormulaC21H24FN5O
Molecular Weight381.46 g/mol
Exact Mass381.20
IUPAC NameN-(2,7-dimethylimidazo[1,2-a]pyridin-6-yl)-2-fluoro-4-(3-methylpiperazin-1-yl)benzamide
SMILESCc1cn2cc(NC(=O)c3ccc(N4CCNC(C)C4)cc3F)c(C)cc2n1
InChIInChI=1S/C21H24FN5O/c1-13-8-20-24-15(3)11-27(20)12-19(13)25-21(28)17-5-4-16(9-18(17)22)26-7-6-23-14(2)10-26/h4-5,8-9,11-12,14,23H,6-7,10H2,1-3H3,(H,25,28)
InChIKeyPPAJLPPPZFCQSD-UHFFFAOYSA-N
XLogP3.14
TPSA61.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,7-dimethylimidazo[1,2-a]pyridin-6-yl)-2-fluoro-4-(3-methylpiperazin-1-yl)benzamide?
The IUPAC name of N-(2,7-dimethylimidazo[1,2-a]pyridin-6-yl)-2-fluoro-4-(3-methylpiperazin-1-yl)benzamide (CID 90468670) is N-(2,7-dimethylimidazo[1,2-a]pyridin-6-yl)-2-fluoro-4-(3-methylpiperazin-1-yl)benzamide.
What is the SMILES notation for N-(2,7-dimethylimidazo[1,2-a]pyridin-6-yl)-2-fluoro-4-(3-methylpiperazin-1-yl)benzamide?
The canonical SMILES for N-(2,7-dimethylimidazo[1,2-a]pyridin-6-yl)-2-fluoro-4-(3-methylpiperazin-1-yl)benzamide is Cc1cn2cc(NC(=O)c3ccc(N4CCNC(C)C4)cc3F)c(C)cc2n1.
What is the InChIKey of N-(2,7-dimethylimidazo[1,2-a]pyridin-6-yl)-2-fluoro-4-(3-methylpiperazin-1-yl)benzamide?
The InChIKey is PPAJLPPPZFCQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O/c1-13-8-20-24-15(3)11-27(20)12-19(13)25-21(28)17-5-4-16(9-18(17)22)26-7-6-23-14(2)10-26/h4-5,8-9,11-12,14,23H,6-7,10H2,1-3H3,(H,25,28).
What are the key properties of N-(2,7-dimethylimidazo[1,2-a]pyridin-6-yl)-2-fluoro-4-(3-methylpiperazin-1-yl)benzamide?
N-(2,7-dimethylimidazo[1,2-a]pyridin-6-yl)-2-fluoro-4-(3-methylpiperazin-1-yl)benzamide has a molecular weight of 381.46 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,7-dimethylimidazo[1,2-a]pyridin-6-yl)-2-fluoro-4-(3-methylpiperazin-1-yl)benzamide is sourced from PubChem (CID 90468670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).