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

C24H22F3N5O2 — CID 118003318

IUPAC7-(4-methylimidazol-1-yl)-2-[(1R)-1-[1-methyl-5-(trifluoromethyl)indol-3-yl]ethyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
SMILESCc1cn(-c2ccc3n(c2=O)CCN([C@H](C)c2cn(C)c4ccc(C(F)(F)F)cc24)C3=O)cn1
InChIInChI=1S/C24H22F3N5O2/c1-14-11-30(13-28-14)20-6-7-21-23(34)31(8-9-32(21)22(20)33)15(2)18-12-29(3)19-5-4-16(10-17(18)19)24(25,26)27/h4-7,10-13,15H,8-9H2,1-3H3/t15-/m1/s1
InChIKeyUILXLQNRZWNXLV-OAHLLOKOSA-N
MW469.47 g/mol
LogP4.07
Rot. Bonds3

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

7-(4-methylimidazol-1-yl)-2-[(1R)-1-[1-methyl-5-(trifluoromethyl)indol-3-yl]ethyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione (PubChem CID 118003318) has the molecular formula C24H22F3N5O2 and a molecular weight of 469.47 g/mol. Its IUPAC name is 7-(4-methylimidazol-1-yl)-2-[(1R)-1-[1-methyl-5-(trifluoromethyl)indol-3-yl]ethyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione.

Molecular Properties

Compound Name7-(4-methylimidazol-1-yl)-2-[(1R)-1-[1-methyl-5-(trifluoromethyl)indol-3-yl]ethyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
PubChem CID118003318
Molecular FormulaC24H22F3N5O2
Molecular Weight469.47 g/mol
Exact Mass469.17
IUPAC Name7-(4-methylimidazol-1-yl)-2-[(1R)-1-[1-methyl-5-(trifluoromethyl)indol-3-yl]ethyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
SMILESCc1cn(-c2ccc3n(c2=O)CCN([C@H](C)c2cn(C)c4ccc(C(F)(F)F)cc24)C3=O)cn1
InChIInChI=1S/C24H22F3N5O2/c1-14-11-30(13-28-14)20-6-7-21-23(34)31(8-9-32(21)22(20)33)15(2)18-12-29(3)19-5-4-16(10-17(18)19)24(25,26)27/h4-7,10-13,15H,8-9H2,1-3H3/t15-/m1/s1
InChIKeyUILXLQNRZWNXLV-OAHLLOKOSA-N
XLogP4.07
TPSA65.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.47
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methylimidazol-1-yl)-2-[(1R)-1-[1-methyl-5-(trifluoromethyl)indol-3-yl]ethyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The IUPAC name of 7-(4-methylimidazol-1-yl)-2-[(1R)-1-[1-methyl-5-(trifluoromethyl)indol-3-yl]ethyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione (CID 118003318) is 7-(4-methylimidazol-1-yl)-2-[(1R)-1-[1-methyl-5-(trifluoromethyl)indol-3-yl]ethyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione.
What is the SMILES notation for 7-(4-methylimidazol-1-yl)-2-[(1R)-1-[1-methyl-5-(trifluoromethyl)indol-3-yl]ethyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The canonical SMILES for 7-(4-methylimidazol-1-yl)-2-[(1R)-1-[1-methyl-5-(trifluoromethyl)indol-3-yl]ethyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione is Cc1cn(-c2ccc3n(c2=O)CCN([C@H](C)c2cn(C)c4ccc(C(F)(F)F)cc24)C3=O)cn1.
What is the InChIKey of 7-(4-methylimidazol-1-yl)-2-[(1R)-1-[1-methyl-5-(trifluoromethyl)indol-3-yl]ethyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The InChIKey is UILXLQNRZWNXLV-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H22F3N5O2/c1-14-11-30(13-28-14)20-6-7-21-23(34)31(8-9-32(21)22(20)33)15(2)18-12-29(3)19-5-4-16(10-17(18)19)24(25,26)27/h4-7,10-13,15H,8-9H2,1-3H3/t15-/m1/s1.
What are the key properties of 7-(4-methylimidazol-1-yl)-2-[(1R)-1-[1-methyl-5-(trifluoromethyl)indol-3-yl]ethyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
7-(4-methylimidazol-1-yl)-2-[(1R)-1-[1-methyl-5-(trifluoromethyl)indol-3-yl]ethyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione has a molecular weight of 469.47 g/mol, XLogP of 4.07, 3 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-[(1R)-1-[1-methyl-5-(trifluoromethyl)indol-3-yl]ethyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione is sourced from PubChem (CID 118003318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).