(3R)-2-[(1S)-1-[3-cyclopropyloxy-5-(trifluoromethyl)phenyl]ethyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione

C25H25F3N4O3 — CID 146361138

IUPAC(3R)-2-[(1S)-1-[3-cyclopropyloxy-5-(trifluoromethyl)phenyl]ethyl]-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([C@@H](C)c2cc(OC4CC4)cc(C(F)(F)F)c2)C3=O)cn1
InChIInChI=1S/C25H25F3N4O3/c1-14-11-30(13-29-14)21-6-7-22-24(34)32(15(2)12-31(22)23(21)33)16(3)17-8-18(25(26,27)28)10-20(9-17)35-19-4-5-19/h6-11,13,15-16,19H,4-5,12H2,1-3H3/t15-,16+/m1/s1
InChIKeyZUXKBUBHKRMYJB-CVEARBPZSA-N
MW486.49 g/mol
LogP4.51
Rot. Bonds5

About (3R)-2-[(1S)-1-[3-cyclopropyloxy-5-(trifluoromethyl)phenyl]ethyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione

(3R)-2-[(1S)-1-[3-cyclopropyloxy-5-(trifluoromethyl)phenyl]ethyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione (PubChem CID 146361138) has the molecular formula C25H25F3N4O3 and a molecular weight of 486.49 g/mol. Its IUPAC name is (3R)-2-[(1S)-1-[3-cyclopropyloxy-5-(trifluoromethyl)phenyl]ethyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione.

Molecular Properties

Compound Name(3R)-2-[(1S)-1-[3-cyclopropyloxy-5-(trifluoromethyl)phenyl]ethyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
PubChem CID146361138
Molecular FormulaC25H25F3N4O3
Molecular Weight486.49 g/mol
Exact Mass486.19
IUPAC Name(3R)-2-[(1S)-1-[3-cyclopropyloxy-5-(trifluoromethyl)phenyl]ethyl]-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([C@@H](C)c2cc(OC4CC4)cc(C(F)(F)F)c2)C3=O)cn1
InChIInChI=1S/C25H25F3N4O3/c1-14-11-30(13-29-14)21-6-7-22-24(34)32(15(2)12-31(22)23(21)33)16(3)17-8-18(25(26,27)28)10-20(9-17)35-19-4-5-19/h6-11,13,15-16,19H,4-5,12H2,1-3H3/t15-,16+/m1/s1
InChIKeyZUXKBUBHKRMYJB-CVEARBPZSA-N
XLogP4.51
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.49
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
(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
(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
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
(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
3-methyl-8-(4-methylimidazol-1-yl)-2-[[1-methyl-6-(trifluoromethyl)-3H-2-benzofuran-1-yl]methyl]-4,5-dihydro-3H-pyrido[1,2-a][1,4]diazepine-1,7-dione
CID 146383866
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
2-[(3,4-dichlorophenyl)methyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 118084285
1-hydroxy-7-(4-methylimidazol-1-yl)-2-[1-[3-(trifluoromethyl)phenyl]ethyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one
CID 123296008

Frequently Asked Questions

What is the IUPAC name of (3R)-2-[(1S)-1-[3-cyclopropyloxy-5-(trifluoromethyl)phenyl]ethyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The IUPAC name of (3R)-2-[(1S)-1-[3-cyclopropyloxy-5-(trifluoromethyl)phenyl]ethyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione (CID 146361138) is (3R)-2-[(1S)-1-[3-cyclopropyloxy-5-(trifluoromethyl)phenyl]ethyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione.
What is the SMILES notation for (3R)-2-[(1S)-1-[3-cyclopropyloxy-5-(trifluoromethyl)phenyl]ethyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The canonical SMILES for (3R)-2-[(1S)-1-[3-cyclopropyloxy-5-(trifluoromethyl)phenyl]ethyl]-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([C@@H](C)c2cc(OC4CC4)cc(C(F)(F)F)c2)C3=O)cn1.
What is the InChIKey of (3R)-2-[(1S)-1-[3-cyclopropyloxy-5-(trifluoromethyl)phenyl]ethyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The InChIKey is ZUXKBUBHKRMYJB-CVEARBPZSA-N. The full InChI is InChI=1S/C25H25F3N4O3/c1-14-11-30(13-29-14)21-6-7-22-24(34)32(15(2)12-31(22)23(21)33)16(3)17-8-18(25(26,27)28)10-20(9-17)35-19-4-5-19/h6-11,13,15-16,19H,4-5,12H2,1-3H3/t15-,16+/m1/s1.
What are the key properties of (3R)-2-[(1S)-1-[3-cyclopropyloxy-5-(trifluoromethyl)phenyl]ethyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
(3R)-2-[(1S)-1-[3-cyclopropyloxy-5-(trifluoromethyl)phenyl]ethyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione has a molecular weight of 486.49 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-[(1S)-1-[3-cyclopropyloxy-5-(trifluoromethyl)phenyl]ethyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione is sourced from PubChem (CID 146361138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).