7-(1-ethylpiperidin-4-yl)-9-methyl-2-(2-methylisoindol-5-yl)pyrido[1,2-a]pyrimidin-4-one

C25H28N4O — CID 165024726

IUPAC7-(1-ethylpiperidin-4-yl)-9-methyl-2-(2-methylisoindol-5-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCCN1CCC(c2cc(C)c3nc(-c4ccc5cn(C)cc5c4)cc(=O)n3c2)CC1
InChIInChI=1S/C25H28N4O/c1-4-28-9-7-18(8-10-28)21-11-17(2)25-26-23(13-24(30)29(25)16-21)19-5-6-20-14-27(3)15-22(20)12-19/h5-6,11-16,18H,4,7-10H2,1-3H3
InChIKeyRZOWIWGDXRLLHC-UHFFFAOYSA-N
MW400.53 g/mol
LogP4.36
Rot. Bonds3

About 7-(1-ethylpiperidin-4-yl)-9-methyl-2-(2-methylisoindol-5-yl)pyrido[1,2-a]pyrimidin-4-one

7-(1-ethylpiperidin-4-yl)-9-methyl-2-(2-methylisoindol-5-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 165024726) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is 7-(1-ethylpiperidin-4-yl)-9-methyl-2-(2-methylisoindol-5-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-(1-ethylpiperidin-4-yl)-9-methyl-2-(2-methylisoindol-5-yl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID165024726
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC Name7-(1-ethylpiperidin-4-yl)-9-methyl-2-(2-methylisoindol-5-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCCN1CCC(c2cc(C)c3nc(-c4ccc5cn(C)cc5c4)cc(=O)n3c2)CC1
InChIInChI=1S/C25H28N4O/c1-4-28-9-7-18(8-10-28)21-11-17(2)25-26-23(13-24(30)29(25)16-21)19-5-6-20-14-27(3)15-22(20)12-19/h5-6,11-16,18H,4,7-10H2,1-3H3
InChIKeyRZOWIWGDXRLLHC-UHFFFAOYSA-N
XLogP4.36
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(1-ethylpiperidin-4-yl)-9-methyl-2-(2-methylisoindol-5-yl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-(1-ethylpiperidin-4-yl)-9-methyl-2-(2-methylisoindol-5-yl)pyrido[1,2-a]pyrimidin-4-one (CID 165024726) is 7-(1-ethylpiperidin-4-yl)-9-methyl-2-(2-methylisoindol-5-yl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-(1-ethylpiperidin-4-yl)-9-methyl-2-(2-methylisoindol-5-yl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-(1-ethylpiperidin-4-yl)-9-methyl-2-(2-methylisoindol-5-yl)pyrido[1,2-a]pyrimidin-4-one is CCN1CCC(c2cc(C)c3nc(-c4ccc5cn(C)cc5c4)cc(=O)n3c2)CC1.
What is the InChIKey of 7-(1-ethylpiperidin-4-yl)-9-methyl-2-(2-methylisoindol-5-yl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is RZOWIWGDXRLLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O/c1-4-28-9-7-18(8-10-28)21-11-17(2)25-26-23(13-24(30)29(25)16-21)19-5-6-20-14-27(3)15-22(20)12-19/h5-6,11-16,18H,4,7-10H2,1-3H3.
What are the key properties of 7-(1-ethylpiperidin-4-yl)-9-methyl-2-(2-methylisoindol-5-yl)pyrido[1,2-a]pyrimidin-4-one?
7-(1-ethylpiperidin-4-yl)-9-methyl-2-(2-methylisoindol-5-yl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 400.53 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-ethylpiperidin-4-yl)-9-methyl-2-(2-methylisoindol-5-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 165024726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).