2-[[(1aS,7bS)-6-methoxy-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

C24H24N4O4 — CID 118389887

IUPAC2-[[(1aS,7bS)-6-methoxy-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
SMILESCOc1ccc2c(c1)[C@]1(CN3CCn4c(ccc(-n5cnc(C)c5)c4=O)C3=O)C[C@@H]1CO2
InChIInChI=1S/C24H24N4O4/c1-15-11-27(14-25-15)19-4-5-20-22(29)26(7-8-28(20)23(19)30)13-24-10-16(24)12-32-21-6-3-17(31-2)9-18(21)24/h3-6,9,11,14,16H,7-8,10,12-13H2,1-2H3/t16-,24+/m1/s1
InChIKeyCQJCKELSGVIJGO-GYCJOSAFSA-N
MW432.48 g/mol
LogP2.16
Rot. Bonds4

About 2-[[(1aS,7bS)-6-methoxy-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)-6-methoxy-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 118389887) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is 2-[[(1aS,7bS)-6-methoxy-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)-6-methoxy-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 CID118389887
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC Name2-[[(1aS,7bS)-6-methoxy-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
SMILESCOc1ccc2c(c1)[C@]1(CN3CCn4c(ccc(-n5cnc(C)c5)c4=O)C3=O)C[C@@H]1CO2
InChIInChI=1S/C24H24N4O4/c1-15-11-27(14-25-15)19-4-5-20-22(29)26(7-8-28(20)23(19)30)13-24-10-16(24)12-32-21-6-3-17(31-2)9-18(21)24/h3-6,9,11,14,16H,7-8,10,12-13H2,1-2H3/t16-,24+/m1/s1
InChIKeyCQJCKELSGVIJGO-GYCJOSAFSA-N
XLogP2.16
TPSA78.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[(1aS,7bS)-6-methoxy-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)-6-methoxy-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)-6-methoxy-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 118389887) is 2-[[(1aS,7bS)-6-methoxy-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)-6-methoxy-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)-6-methoxy-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 COc1ccc2c(c1)[C@]1(CN3CCn4c(ccc(-n5cnc(C)c5)c4=O)C3=O)C[C@@H]1CO2.
What is the InChIKey of 2-[[(1aS,7bS)-6-methoxy-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 CQJCKELSGVIJGO-GYCJOSAFSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-15-11-27(14-25-15)19-4-5-20-22(29)26(7-8-28(20)23(19)30)13-24-10-16(24)12-32-21-6-3-17(31-2)9-18(21)24/h3-6,9,11,14,16H,7-8,10,12-13H2,1-2H3/t16-,24+/m1/s1.
What are the key properties of 2-[[(1aS,7bS)-6-methoxy-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)-6-methoxy-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 432.48 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1aS,7bS)-6-methoxy-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 118389887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).