7-(3,5-dimethylpiperazin-1-yl)-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one

C21H20FN5O2 — CID 78161778

IUPAC7-(3,5-dimethylpiperazin-1-yl)-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one
SMILESCC1CN(c2ccc3cc(-c4cn5cccc(F)c5n4)c(=O)oc3n2)CC(C)N1
InChIInChI=1S/C21H20FN5O2/c1-12-9-27(10-13(2)23-12)18-6-5-14-8-15(21(28)29-20(14)25-18)17-11-26-7-3-4-16(22)19(26)24-17/h3-8,11-13,23H,9-10H2,1-2H3
InChIKeyNQZPKBFGGTXWJQ-UHFFFAOYSA-N
MW393.42 g/mol
LogP2.83
Rot. Bonds2

About 7-(3,5-dimethylpiperazin-1-yl)-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one

7-(3,5-dimethylpiperazin-1-yl)-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one (PubChem CID 78161778) has the molecular formula C21H20FN5O2 and a molecular weight of 393.42 g/mol. Its IUPAC name is 7-(3,5-dimethylpiperazin-1-yl)-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name7-(3,5-dimethylpiperazin-1-yl)-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one
PubChem CID78161778
Molecular FormulaC21H20FN5O2
Molecular Weight393.42 g/mol
Exact Mass393.16
IUPAC Name7-(3,5-dimethylpiperazin-1-yl)-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one
SMILESCC1CN(c2ccc3cc(-c4cn5cccc(F)c5n4)c(=O)oc3n2)CC(C)N1
InChIInChI=1S/C21H20FN5O2/c1-12-9-27(10-13(2)23-12)18-6-5-14-8-15(21(28)29-20(14)25-18)17-11-26-7-3-4-16(22)19(26)24-17/h3-8,11-13,23H,9-10H2,1-2H3
InChIKeyNQZPKBFGGTXWJQ-UHFFFAOYSA-N
XLogP2.83
TPSA75.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-(3,5-dimethylpiperazin-1-yl)-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one with MolForge

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Related Compounds

(S)-3-(6,8-Dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(3-methylpiperazin-1-yl)-2H-chromen-2-one
CID 89655253
3-(8-Methyl-2-imidazo[1,2-a]pyridinyl)-1-benzopyran-2-one
CID 767302
3-(7-Methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one
CID 830970
3-(imidazo[1,2-a]pyridin-2-yl)-2H-chromen-2-one
CID 397075
3-(Imidazo[1,2-a]pyridin-2-yl)-7-(piperazin-1-yl)-2H-chromen-2-one
CID 71622408
3-(6-Methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one
CID 71622687
3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one
CID 89654975
7-(4-Tert-butylpiperazin-1-yl)-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one
CID 89655966
3-(6-Methylimidazo[1,2-a]pyrazin-2-yl)-7-(piperazin-1-yl)-2h-chromen-2-one
CID 89655987
3-Imidazo[1,2-a]pyrazin-2-yl-7-piperazin-1-ylchromen-2-one
CID 89656703
3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3S)-3,4-dimethylpiperazin-1-yl]chromen-2-one
CID 89656757
3-(2-Methylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylchromen-2-one
CID 89656891

Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethylpiperazin-1-yl)-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one?
The IUPAC name of 7-(3,5-dimethylpiperazin-1-yl)-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one (CID 78161778) is 7-(3,5-dimethylpiperazin-1-yl)-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one.
What is the SMILES notation for 7-(3,5-dimethylpiperazin-1-yl)-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one?
The canonical SMILES for 7-(3,5-dimethylpiperazin-1-yl)-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one is CC1CN(c2ccc3cc(-c4cn5cccc(F)c5n4)c(=O)oc3n2)CC(C)N1.
What is the InChIKey of 7-(3,5-dimethylpiperazin-1-yl)-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one?
The InChIKey is NQZPKBFGGTXWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O2/c1-12-9-27(10-13(2)23-12)18-6-5-14-8-15(21(28)29-20(14)25-18)17-11-26-7-3-4-16(22)19(26)24-17/h3-8,11-13,23H,9-10H2,1-2H3.
What are the key properties of 7-(3,5-dimethylpiperazin-1-yl)-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one?
7-(3,5-dimethylpiperazin-1-yl)-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one has a molecular weight of 393.42 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethylpiperazin-1-yl)-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one is sourced from PubChem (CID 78161778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).