7-(4-methylimidazol-1-yl)-2-[(3-piperidin-1-ylphenyl)methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione

C24H27N5O2 — CID 118073054

IUPAC7-(4-methylimidazol-1-yl)-2-[(3-piperidin-1-ylphenyl)methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
SMILESCc1cn(-c2ccc3n(c2=O)CCN(Cc2cccc(N4CCCCC4)c2)C3=O)cn1
InChIInChI=1S/C24H27N5O2/c1-18-15-28(17-25-18)21-8-9-22-23(30)27(12-13-29(22)24(21)31)16-19-6-5-7-20(14-19)26-10-3-2-4-11-26/h5-9,14-15,17H,2-4,10-13,16H2,1H3
InChIKeyKEMPPLVONOMHII-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.99
Rot. Bonds4

About 7-(4-methylimidazol-1-yl)-2-[(3-piperidin-1-ylphenyl)methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione

7-(4-methylimidazol-1-yl)-2-[(3-piperidin-1-ylphenyl)methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione (PubChem CID 118073054) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 7-(4-methylimidazol-1-yl)-2-[(3-piperidin-1-ylphenyl)methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione.

Molecular Properties

Compound Name7-(4-methylimidazol-1-yl)-2-[(3-piperidin-1-ylphenyl)methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
PubChem CID118073054
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name7-(4-methylimidazol-1-yl)-2-[(3-piperidin-1-ylphenyl)methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
SMILESCc1cn(-c2ccc3n(c2=O)CCN(Cc2cccc(N4CCCCC4)c2)C3=O)cn1
InChIInChI=1S/C24H27N5O2/c1-18-15-28(17-25-18)21-8-9-22-23(30)27(12-13-29(22)24(21)31)16-19-6-5-7-20(14-19)26-10-3-2-4-11-26/h5-9,14-15,17H,2-4,10-13,16H2,1H3
InChIKeyKEMPPLVONOMHII-UHFFFAOYSA-N
XLogP2.99
TPSA63.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-(4-methylimidazol-1-yl)-2-[(3-piperidin-1-ylphenyl)methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione 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-[[3-(3-methoxyphenyl)phenyl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 122447062
7-(4-methylimidazol-1-yl)-2-prop-2-enyl-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 90074410
2-[[1-ethyl-5-(trifluoromethyl)indol-3-yl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 118726370
7-(4-methylimidazol-1-yl)-2-[[5-(trifluoromethyl)-1,2-benzoxazol-3-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 122447067
2-[[1-[3,5-bis(trifluoromethyl)phenyl]cyclopropyl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 118073079
7-(4-methylimidazol-1-yl)-2-[2-[(2,2,3,3-tetrafluoro-1H-inden-4-yl)oxy]ethyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 88959665
2-[(6-chloro-7,8-difluoro-2,2-dimethylchromen-4-yl)methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 118389867
7-(4-methylimidazol-1-yl)-2-[[2-[4-(trifluoromethyl)phenoxy]-1,3-thiazol-4-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 122447051
2-[[(1aS,7bS)-1a,2-dihydro-1H-cyclopropa[c]chromen-7b-yl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 118403567
7-(4-methylimidazol-1-yl)-2-(1,1,1-trifluorobutan-2-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 162565850
2-[(3,4-dichlorophenyl)methyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 118084285
2-[[(1aR,6bR)-1a-methyl-1-oxo-5-(trifluoromethoxy)cyclopropa[b][1]benzofuran-6b-yl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 155068335

Frequently Asked Questions

What is the IUPAC name of 7-(4-methylimidazol-1-yl)-2-[(3-piperidin-1-ylphenyl)methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The IUPAC name of 7-(4-methylimidazol-1-yl)-2-[(3-piperidin-1-ylphenyl)methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione (CID 118073054) is 7-(4-methylimidazol-1-yl)-2-[(3-piperidin-1-ylphenyl)methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione.
What is the SMILES notation for 7-(4-methylimidazol-1-yl)-2-[(3-piperidin-1-ylphenyl)methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The canonical SMILES for 7-(4-methylimidazol-1-yl)-2-[(3-piperidin-1-ylphenyl)methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione is Cc1cn(-c2ccc3n(c2=O)CCN(Cc2cccc(N4CCCCC4)c2)C3=O)cn1.
What is the InChIKey of 7-(4-methylimidazol-1-yl)-2-[(3-piperidin-1-ylphenyl)methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The InChIKey is KEMPPLVONOMHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-18-15-28(17-25-18)21-8-9-22-23(30)27(12-13-29(22)24(21)31)16-19-6-5-7-20(14-19)26-10-3-2-4-11-26/h5-9,14-15,17H,2-4,10-13,16H2,1H3.
What are the key properties of 7-(4-methylimidazol-1-yl)-2-[(3-piperidin-1-ylphenyl)methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
7-(4-methylimidazol-1-yl)-2-[(3-piperidin-1-ylphenyl)methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione has a molecular weight of 417.51 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylimidazol-1-yl)-2-[(3-piperidin-1-ylphenyl)methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione is sourced from PubChem (CID 118073054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).