7-(1-ethylpiperidin-4-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-9-methylpyrazino[1,2-a]pyrimidin-4-one

C23H25FN6O — CID 137374129

IUPAC7-(1-ethylpiperidin-4-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-9-methylpyrazino[1,2-a]pyrimidin-4-one
SMILESCCN1CCC(c2cn3c(=O)cc(-c4cc(F)c5nc(C)cn5c4)nc3c(C)n2)CC1
InChIInChI=1S/C23H25FN6O/c1-4-28-7-5-16(6-8-28)20-13-30-21(31)10-19(27-22(30)15(3)26-20)17-9-18(24)23-25-14(2)11-29(23)12-17/h9-13,16H,4-8H2,1-3H3
InChIKeyGHBSRBJYUBUHDI-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.36
Rot. Bonds3

About 7-(1-ethylpiperidin-4-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-9-methylpyrazino[1,2-a]pyrimidin-4-one

7-(1-ethylpiperidin-4-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-9-methylpyrazino[1,2-a]pyrimidin-4-one (PubChem CID 137374129) has the molecular formula C23H25FN6O and a molecular weight of 420.49 g/mol. Its IUPAC name is 7-(1-ethylpiperidin-4-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-9-methylpyrazino[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-(1-ethylpiperidin-4-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-9-methylpyrazino[1,2-a]pyrimidin-4-one
PubChem CID137374129
Molecular FormulaC23H25FN6O
Molecular Weight420.49 g/mol
Exact Mass420.21
IUPAC Name7-(1-ethylpiperidin-4-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-9-methylpyrazino[1,2-a]pyrimidin-4-one
SMILESCCN1CCC(c2cn3c(=O)cc(-c4cc(F)c5nc(C)cn5c4)nc3c(C)n2)CC1
InChIInChI=1S/C23H25FN6O/c1-4-28-7-5-16(6-8-28)20-13-30-21(31)10-19(27-22(30)15(3)26-20)17-9-18(24)23-25-14(2)11-29(23)12-17/h9-13,16H,4-8H2,1-3H3
InChIKeyGHBSRBJYUBUHDI-UHFFFAOYSA-N
XLogP3.36
TPSA67.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(1-ethylpiperidin-4-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-9-methylpyrazino[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-(1-ethylpiperidin-4-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-9-methylpyrazino[1,2-a]pyrimidin-4-one (CID 137374129) is 7-(1-ethylpiperidin-4-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-9-methylpyrazino[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-(1-ethylpiperidin-4-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-9-methylpyrazino[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-(1-ethylpiperidin-4-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-9-methylpyrazino[1,2-a]pyrimidin-4-one is CCN1CCC(c2cn3c(=O)cc(-c4cc(F)c5nc(C)cn5c4)nc3c(C)n2)CC1.
What is the InChIKey of 7-(1-ethylpiperidin-4-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-9-methylpyrazino[1,2-a]pyrimidin-4-one?
The InChIKey is GHBSRBJYUBUHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6O/c1-4-28-7-5-16(6-8-28)20-13-30-21(31)10-19(27-22(30)15(3)26-20)17-9-18(24)23-25-14(2)11-29(23)12-17/h9-13,16H,4-8H2,1-3H3.
What are the key properties of 7-(1-ethylpiperidin-4-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-9-methylpyrazino[1,2-a]pyrimidin-4-one?
7-(1-ethylpiperidin-4-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-9-methylpyrazino[1,2-a]pyrimidin-4-one has a molecular weight of 420.49 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-ethylpiperidin-4-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-9-methylpyrazino[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 137374129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).