2-[[(1aS,7bS)-5-(trifluoromethyl)-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

C24H21F3N4O3 — CID 118389912

IUPAC2-[[(1aS,7bS)-5-(trifluoromethyl)-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
SMILESCc1cn(-c2ccc3n(c2=O)CCN(C[C@@]24C[C@@H]2COc2cc(C(F)(F)F)ccc24)C3=O)cn1
InChIInChI=1S/C24H21F3N4O3/c1-14-10-30(13-28-14)18-4-5-19-21(32)29(6-7-31(19)22(18)33)12-23-9-16(23)11-34-20-8-15(24(25,26)27)2-3-17(20)23/h2-5,8,10,13,16H,6-7,9,11-12H2,1H3/t16-,23+/m1/s1
InChIKeyTZQLYCNVGXOARB-MWTRTKDXSA-N
MW470.45 g/mol
LogP3.17
Rot. Bonds3

About 2-[[(1aS,7bS)-5-(trifluoromethyl)-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

2-[[(1aS,7bS)-5-(trifluoromethyl)-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 (PubChem CID 118389912) has the molecular formula C24H21F3N4O3 and a molecular weight of 470.45 g/mol. Its IUPAC name is 2-[[(1aS,7bS)-5-(trifluoromethyl)-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.

Molecular Properties

Compound Name2-[[(1aS,7bS)-5-(trifluoromethyl)-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
PubChem CID118389912
Molecular FormulaC24H21F3N4O3
Molecular Weight470.45 g/mol
Exact Mass470.16
IUPAC Name2-[[(1aS,7bS)-5-(trifluoromethyl)-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
SMILESCc1cn(-c2ccc3n(c2=O)CCN(C[C@@]24C[C@@H]2COc2cc(C(F)(F)F)ccc24)C3=O)cn1
InChIInChI=1S/C24H21F3N4O3/c1-14-10-30(13-28-14)18-4-5-19-21(32)29(6-7-31(19)22(18)33)12-23-9-16(23)11-34-20-8-15(24(25,26)27)2-3-17(20)23/h2-5,8,10,13,16H,6-7,9,11-12H2,1H3/t16-,23+/m1/s1
InChIKeyTZQLYCNVGXOARB-MWTRTKDXSA-N
XLogP3.17
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.45
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[(1aS,7bS)-5-(trifluoromethyl)-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1aS,7bS)-5-(trifluoromethyl)-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?
The IUPAC name of 2-[[(1aS,7bS)-5-(trifluoromethyl)-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 118389912) is 2-[[(1aS,7bS)-5-(trifluoromethyl)-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.
What is the SMILES notation for 2-[[(1aS,7bS)-5-(trifluoromethyl)-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?
The canonical SMILES for 2-[[(1aS,7bS)-5-(trifluoromethyl)-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 is Cc1cn(-c2ccc3n(c2=O)CCN(C[C@@]24C[C@@H]2COc2cc(C(F)(F)F)ccc24)C3=O)cn1.
What is the InChIKey of 2-[[(1aS,7bS)-5-(trifluoromethyl)-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?
The InChIKey is TZQLYCNVGXOARB-MWTRTKDXSA-N. The full InChI is InChI=1S/C24H21F3N4O3/c1-14-10-30(13-28-14)18-4-5-19-21(32)29(6-7-31(19)22(18)33)12-23-9-16(23)11-34-20-8-15(24(25,26)27)2-3-17(20)23/h2-5,8,10,13,16H,6-7,9,11-12H2,1H3/t16-,23+/m1/s1.
What are the key properties of 2-[[(1aS,7bS)-5-(trifluoromethyl)-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?
2-[[(1aS,7bS)-5-(trifluoromethyl)-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 has a molecular weight of 470.45 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1aS,7bS)-5-(trifluoromethyl)-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 is sourced from PubChem (CID 118389912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).