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

C25H24F3N5O2 — CID 118084314

IUPAC3-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
SMILESCc1ccc2c(c1)c(CN1C(=O)c3ccc(-n4cnc(C)c4)c(=O)n3CC1C)cn2CC(F)(F)F
InChIInChI=1S/C25H24F3N5O2/c1-15-4-5-20-19(8-15)18(11-30(20)13-25(26,27)28)12-32-17(3)10-33-22(24(32)35)7-6-21(23(33)34)31-9-16(2)29-14-31/h4-9,11,14,17H,10,12-13H2,1-3H3
InChIKeyKHMALRGZZSHIFG-UHFFFAOYSA-N
MW483.49 g/mol
LogP4.21
Rot. Bonds4

About 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

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 (PubChem CID 118084314) has the molecular formula C25H24F3N5O2 and a molecular weight of 483.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID118084314
Molecular FormulaC25H24F3N5O2
Molecular Weight483.49 g/mol
Exact Mass483.19
IUPAC Name3-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
SMILESCc1ccc2c(c1)c(CN1C(=O)c3ccc(-n4cnc(C)c4)c(=O)n3CC1C)cn2CC(F)(F)F
InChIInChI=1S/C25H24F3N5O2/c1-15-4-5-20-19(8-15)18(11-30(20)13-25(26,27)28)12-32-17(3)10-33-22(24(32)35)7-6-21(23(33)34)31-9-16(2)29-14-31/h4-9,11,14,17H,10,12-13H2,1-3H3
InChIKeyKHMALRGZZSHIFG-UHFFFAOYSA-N
XLogP4.21
TPSA65.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.49
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

(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
(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
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
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-[[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
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
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
tert-butyl 3-[1-[3-methyl-7-(4-methylimidazol-1-yl)-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]-5-(trifluoromethyl)indole-1-carboxylate
CID 118084244
12-(4-methylimidazol-1-yl)-6-[3-methyl-5-(trifluoromethyl)phenyl]-1,7-diazatricyclo[7.4.0.03,7]trideca-9,11-diene-8,13-dione
CID 157292445
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
(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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc2c(c1)c(CN1C(=O)c3ccc(-n4cnc(C)c4)c(=O)n3CC1C)cn2CC(F)(F)F.
What is the InChIKey of 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?
The InChIKey is KHMALRGZZSHIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N5O2/c1-15-4-5-20-19(8-15)18(11-30(20)13-25(26,27)28)12-32-17(3)10-33-22(24(32)35)7-6-21(23(33)34)31-9-16(2)29-14-31/h4-9,11,14,17H,10,12-13H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 483.49 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118084314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).