7-methyl-2-[[4-(1-oxo-2-piperidin-3-yl-3H-isoindol-5-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

C28H33N5O2 — CID 170163491

IUPAC7-methyl-2-[[4-(1-oxo-2-piperidin-3-yl-3H-isoindol-5-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CN3CCC(c4ccc5c(c4)CN(C4CCCNC4)C5=O)CC3)cc(=O)n2c1
InChIInChI=1S/C28H33N5O2/c1-19-4-7-26-30-23(14-27(34)33(26)16-19)18-31-11-8-20(9-12-31)21-5-6-25-22(13-21)17-32(28(25)35)24-3-2-10-29-15-24/h4-7,13-14,16,20,24,29H,2-3,8-12,15,17-18H2,1H3
InChIKeyUDIYOWQVDVBNBQ-UHFFFAOYSA-N
MW471.61 g/mol
LogP3.09
Rot. Bonds4

About 7-methyl-2-[[4-(1-oxo-2-piperidin-3-yl-3H-isoindol-5-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

7-methyl-2-[[4-(1-oxo-2-piperidin-3-yl-3H-isoindol-5-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 170163491) has the molecular formula C28H33N5O2 and a molecular weight of 471.61 g/mol. Its IUPAC name is 7-methyl-2-[[4-(1-oxo-2-piperidin-3-yl-3H-isoindol-5-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-methyl-2-[[4-(1-oxo-2-piperidin-3-yl-3H-isoindol-5-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID170163491
Molecular FormulaC28H33N5O2
Molecular Weight471.61 g/mol
Exact Mass471.26
IUPAC Name7-methyl-2-[[4-(1-oxo-2-piperidin-3-yl-3H-isoindol-5-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CN3CCC(c4ccc5c(c4)CN(C4CCCNC4)C5=O)CC3)cc(=O)n2c1
InChIInChI=1S/C28H33N5O2/c1-19-4-7-26-30-23(14-27(34)33(26)16-19)18-31-11-8-20(9-12-31)21-5-6-25-22(13-21)17-32(28(25)35)24-3-2-10-29-15-24/h4-7,13-14,16,20,24,29H,2-3,8-12,15,17-18H2,1H3
InChIKeyUDIYOWQVDVBNBQ-UHFFFAOYSA-N
XLogP3.09
TPSA69.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.61
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-methyl-2-[[4-(1-oxo-2-piperidin-3-yl-3H-isoindol-5-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-piperidin-3-yl-5-[1-[(6-propan-2-yloxy-2-pyridinyl)methyl]piperidin-4-yl]-3H-isoindol-1-one
CID 170162528
2-piperidin-3-yl-5-[1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidin-4-yl]-3H-isoindol-1-one
CID 150210420
5-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-2-piperidin-3-yl-3H-isoindol-1-one
CID 170163613
5-[1-[(3-anilinophenyl)methyl]piperidin-4-yl]-2-piperidin-3-yl-3H-isoindol-1-one
CID 175750870
2-piperidin-3-yl-5-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]-3H-isoindol-1-one
CID 151756022
2-[(4-aminopiperidin-1-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 43556457
7-methyl-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054645
7-methyl-2-[[4-(methylamino)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 119923564
7-methyl-2-[[4-(methylamino)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 119923563
7-methyl-2-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 51104341
5-[1-[(1S)-2-hydroxy-1-phenylethyl]piperidin-4-yl]-2-piperidin-3-yl-3H-isoindol-1-one
CID 170163358
7-methyl-2-piperidin-3-ylpyrido[1,2-a]pyrimidin-4-one
CID 115054664

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[[4-(1-oxo-2-piperidin-3-yl-3H-isoindol-5-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-methyl-2-[[4-(1-oxo-2-piperidin-3-yl-3H-isoindol-5-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 170163491) is 7-methyl-2-[[4-(1-oxo-2-piperidin-3-yl-3H-isoindol-5-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-methyl-2-[[4-(1-oxo-2-piperidin-3-yl-3H-isoindol-5-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-methyl-2-[[4-(1-oxo-2-piperidin-3-yl-3H-isoindol-5-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1ccc2nc(CN3CCC(c4ccc5c(c4)CN(C4CCCNC4)C5=O)CC3)cc(=O)n2c1.
What is the InChIKey of 7-methyl-2-[[4-(1-oxo-2-piperidin-3-yl-3H-isoindol-5-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is UDIYOWQVDVBNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O2/c1-19-4-7-26-30-23(14-27(34)33(26)16-19)18-31-11-8-20(9-12-31)21-5-6-25-22(13-21)17-32(28(25)35)24-3-2-10-29-15-24/h4-7,13-14,16,20,24,29H,2-3,8-12,15,17-18H2,1H3.
What are the key properties of 7-methyl-2-[[4-(1-oxo-2-piperidin-3-yl-3H-isoindol-5-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
7-methyl-2-[[4-(1-oxo-2-piperidin-3-yl-3H-isoindol-5-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 471.61 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[[4-(1-oxo-2-piperidin-3-yl-3H-isoindol-5-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 170163491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).