(3S)-2-[(6-fluoro-1-methylindol-3-yl)methyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione

C23H22FN5O2 — CID 118086179

IUPAC(3S)-2-[(6-fluoro-1-methylindol-3-yl)methyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
SMILESCc1cn(-c2ccc3n(c2=O)C[C@H](C)N(Cc2cn(C)c4cc(F)ccc24)C3=O)cn1
InChIInChI=1S/C23H22FN5O2/c1-14-9-27(13-25-14)19-6-7-20-23(31)28(15(2)10-29(20)22(19)30)12-16-11-26(3)21-8-17(24)4-5-18(16)21/h4-9,11,13,15H,10,12H2,1-3H3/t15-/m0/s1
InChIKeyKDUXVQBMUYEKKL-HNNXBMFYSA-N
MW419.46 g/mol
LogP3.02
Rot. Bonds3

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

(3S)-2-[(6-fluoro-1-methylindol-3-yl)methyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione (PubChem CID 118086179) has the molecular formula C23H22FN5O2 and a molecular weight of 419.46 g/mol. Its IUPAC name is (3S)-2-[(6-fluoro-1-methylindol-3-yl)methyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione.

Molecular Properties

Compound Name(3S)-2-[(6-fluoro-1-methylindol-3-yl)methyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
PubChem CID118086179
Molecular FormulaC23H22FN5O2
Molecular Weight419.46 g/mol
Exact Mass419.18
IUPAC Name(3S)-2-[(6-fluoro-1-methylindol-3-yl)methyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
SMILESCc1cn(-c2ccc3n(c2=O)C[C@H](C)N(Cc2cn(C)c4cc(F)ccc24)C3=O)cn1
InChIInChI=1S/C23H22FN5O2/c1-14-9-27(13-25-14)19-6-7-20-23(31)28(15(2)10-29(20)22(19)30)12-16-11-26(3)21-8-17(24)4-5-18(16)21/h4-9,11,13,15H,10,12H2,1-3H3/t15-/m0/s1
InChIKeyKDUXVQBMUYEKKL-HNNXBMFYSA-N
XLogP3.02
TPSA65.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3S)-2-[(6-fluoro-1-methylindol-3-yl)methyl]-3-methyl-7-(4-methylimidazol-1-yl)-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

3-methyl-7-(4-methylimidazol-1-yl)-2-[[5-methyl-1-(2,2,2-trifluoroethyl)indol-3-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 118084314
(3S)-2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 118073139
2-[(3,4-dichlorophenyl)methyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 118084285
tert-butyl 3-[[3-methyl-7-(4-methylimidazol-1-yl)-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]methyl]-5-(trifluoromethoxy)indole-1-carboxylate
CID 118084270
(3R)-3-methyl-7-(4-methylimidazol-1-yl)-2-[[5-(2,2,2-trifluoroethyl)thiophen-3-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 90286694
ethane;3-methyl-7-(4-methylimidazol-1-yl)-2-[[5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 144669726
3-methyl-7-(4-methylimidazol-1-yl)-2-[1-[1-methyl-5-(trifluoromethyl)indol-3-yl]ethyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 118073032
2-[(6-bromo-2-methyl-3,4-dihydrochromen-2-yl)methyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 118555652
(3S)-2-[(1R)-1-(5-chloro-1-cyclopropyl-6-fluoroindol-3-yl)ethyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 118086312
2-[1-(5-chloro-1-cyclopropyl-6-fluoroindol-3-yl)ethyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 118073146
3-methyl-7-(4-methylimidazol-1-yl)-2-[1-[5-(trifluoromethyl)-1-benzofuran-3-yl]ethyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 118564177
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

Frequently Asked Questions

What is the IUPAC name of (3S)-2-[(6-fluoro-1-methylindol-3-yl)methyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The IUPAC name of (3S)-2-[(6-fluoro-1-methylindol-3-yl)methyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione (CID 118086179) is (3S)-2-[(6-fluoro-1-methylindol-3-yl)methyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione.
What is the SMILES notation for (3S)-2-[(6-fluoro-1-methylindol-3-yl)methyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The canonical SMILES for (3S)-2-[(6-fluoro-1-methylindol-3-yl)methyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione is Cc1cn(-c2ccc3n(c2=O)C[C@H](C)N(Cc2cn(C)c4cc(F)ccc24)C3=O)cn1.
What is the InChIKey of (3S)-2-[(6-fluoro-1-methylindol-3-yl)methyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The InChIKey is KDUXVQBMUYEKKL-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H22FN5O2/c1-14-9-27(13-25-14)19-6-7-20-23(31)28(15(2)10-29(20)22(19)30)12-16-11-26(3)21-8-17(24)4-5-18(16)21/h4-9,11,13,15H,10,12H2,1-3H3/t15-/m0/s1.
What are the key properties of (3S)-2-[(6-fluoro-1-methylindol-3-yl)methyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
(3S)-2-[(6-fluoro-1-methylindol-3-yl)methyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione has a molecular weight of 419.46 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-[(6-fluoro-1-methylindol-3-yl)methyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione is sourced from PubChem (CID 118086179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).