[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] N-[3-(methylamino)propyl]-N-(3-morpholin-4-ylpropyl)carbamate;2-[2-[3-[[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxycarbonyl-(3-morpholin-4-ylpropyl)amino]propyl-methylamino]-2-oxoethoxy]acetic acid;1,4-dioxane-2,6-dione

C80H92N12O16 — CID 157276465

IUPAC[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] N-[3-(methylamino)propyl]-N-(3-morpholin-4-ylpropyl)carbamate;2-[2-[3-[[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxycarbonyl-(3-morpholin-4-ylpropyl)amino]propyl-methylamino]-2-oxoethoxy]acetic acid;1,4-dioxane-2,6-dione
SMILESCN(CCCN(CCCN1CCOCC1)C(=O)Oc1c(Cc2ccco2)nc2c(Cc3ccccc3)nc(-c3ccccc3)cn12)C(=O)COCC(=O)O.CNCCCN(CCCN1CCOCC1)C(=O)Oc1c(Cc2ccco2)nc2c(Cc3ccccc3)nc(-c3ccccc3)cn12.O=C1COCC(=O)O1
InChIInChI=1S/C40H46N6O8.C36H42N6O4.C4H4O4/c1-43(36(47)28-52-29-37(48)49)16-9-18-45(19-10-17-44-20-23-51-24-21-44)40(50)54-39-34(26-32-15-8-22-53-32)42-38-33(25-30-11-4-2-5-12-30)41-35(27-46(38)39)31-13-6-3-7-14-31;1-37-16-9-18-41(19-10-17-40-20-23-44-24-21-40)36(43)46-35-32(26-30-15-8-22-45-30)39-34-31(25-28-11-4-2-5-12-28)38-33(27-42(34)35)29-13-6-3-7-14-29;5-3-1-7-2-4(6)8-3/h2-8,11-15,22,27H,9-10,16-21,23-26,28-29H2,1H3,(H,48,49);2-8,11-15,22,27,37H,9-10,16-21,23-26H2,1H3;1-2H2
InChIKeyAZDWIJVBMFTXEN-UHFFFAOYSA-N
MW1477.68 g/mol
LogP9.03
Rot. Bonds32

About [8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] N-[3-(methylamino)propyl]-N-(3-morpholin-4-ylpropyl)carbamate;2-[2-[3-[[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxycarbonyl-(3-morpholin-4-ylpropyl)amino]propyl-methylamino]-2-oxoethoxy]acetic acid;1,4-dioxane-2,6-dione

[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] N-[3-(methylamino)propyl]-N-(3-morpholin-4-ylpropyl)carbamate;2-[2-[3-[[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxycarbonyl-(3-morpholin-4-ylpropyl)amino]propyl-methylamino]-2-oxoethoxy]acetic acid;1,4-dioxane-2,6-dione (PubChem CID 157276465) has the molecular formula C80H92N12O16 and a molecular weight of 1477.68 g/mol. Its IUPAC name is [8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] N-[3-(methylamino)propyl]-N-(3-morpholin-4-ylpropyl)carbamate;2-[2-[3-[[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxycarbonyl-(3-morpholin-4-ylpropyl)amino]propyl-methylamino]-2-oxoethoxy]acetic acid;1,4-dioxane-2,6-dione.

Molecular Properties

Compound Name[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] N-[3-(methylamino)propyl]-N-(3-morpholin-4-ylpropyl)carbamate;2-[2-[3-[[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxycarbonyl-(3-morpholin-4-ylpropyl)amino]propyl-methylamino]-2-oxoethoxy]acetic acid;1,4-dioxane-2,6-dione
PubChem CID157276465
Molecular FormulaC80H92N12O16
Molecular Weight1477.68 g/mol
Exact Mass1476.68
IUPAC Name[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] N-[3-(methylamino)propyl]-N-(3-morpholin-4-ylpropyl)carbamate;2-[2-[3-[[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxycarbonyl-(3-morpholin-4-ylpropyl)amino]propyl-methylamino]-2-oxoethoxy]acetic acid;1,4-dioxane-2,6-dione
SMILESCN(CCCN(CCCN1CCOCC1)C(=O)Oc1c(Cc2ccco2)nc2c(Cc3ccccc3)nc(-c3ccccc3)cn12)C(=O)COCC(=O)O.CNCCCN(CCCN1CCOCC1)C(=O)Oc1c(Cc2ccco2)nc2c(Cc3ccccc3)nc(-c3ccccc3)cn12.O=C1COCC(=O)O1
InChIInChI=1S/C40H46N6O8.C36H42N6O4.C4H4O4/c1-43(36(47)28-52-29-37(48)49)16-9-18-45(19-10-17-44-20-23-51-24-21-44)40(50)54-39-34(26-32-15-8-22-53-32)42-38-33(25-30-11-4-2-5-12-30)41-35(27-46(38)39)31-13-6-3-7-14-31;1-37-16-9-18-41(19-10-17-40-20-23-44-24-21-40)36(43)46-35-32(26-30-15-8-22-45-30)39-34-31(25-28-11-4-2-5-12-28)38-33(27-42(34)35)29-13-6-3-7-14-29;5-3-1-7-2-4(6)8-3/h2-8,11-15,22,27H,9-10,16-21,23-26,28-29H2,1H3,(H,48,49);2-8,11-15,22,27,37H,9-10,16-21,23-26H2,1H3;1-2H2
InChIKeyAZDWIJVBMFTXEN-UHFFFAOYSA-N
XLogP9.03
TPSA302.15 Ų
H-Bond Donors2
H-Bond Acceptors24
Rotatable Bonds32
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001477.68
LogP ≤ 59.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze [8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] N-[3-(methylamino)propyl]-N-(3-morpholin-4-ylpropyl)carbamate;2-[2-[3-[[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxycarbonyl-(3-morpholin-4-ylpropyl)amino]propyl-methylamino]-2-oxoethoxy]acetic acid;1,4-dioxane-2,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of [8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] N-[3-(methylamino)propyl]-N-(3-morpholin-4-ylpropyl)carbamate;2-[2-[3-[[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxycarbonyl-(3-morpholin-4-ylpropyl)amino]propyl-methylamino]-2-oxoethoxy]acetic acid;1,4-dioxane-2,6-dione?
The IUPAC name of [8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] N-[3-(methylamino)propyl]-N-(3-morpholin-4-ylpropyl)carbamate;2-[2-[3-[[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxycarbonyl-(3-morpholin-4-ylpropyl)amino]propyl-methylamino]-2-oxoethoxy]acetic acid;1,4-dioxane-2,6-dione (CID 157276465) is [8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] N-[3-(methylamino)propyl]-N-(3-morpholin-4-ylpropyl)carbamate;2-[2-[3-[[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxycarbonyl-(3-morpholin-4-ylpropyl)amino]propyl-methylamino]-2-oxoethoxy]acetic acid;1,4-dioxane-2,6-dione.
What is the SMILES notation for [8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] N-[3-(methylamino)propyl]-N-(3-morpholin-4-ylpropyl)carbamate;2-[2-[3-[[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxycarbonyl-(3-morpholin-4-ylpropyl)amino]propyl-methylamino]-2-oxoethoxy]acetic acid;1,4-dioxane-2,6-dione?
The canonical SMILES for [8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] N-[3-(methylamino)propyl]-N-(3-morpholin-4-ylpropyl)carbamate;2-[2-[3-[[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxycarbonyl-(3-morpholin-4-ylpropyl)amino]propyl-methylamino]-2-oxoethoxy]acetic acid;1,4-dioxane-2,6-dione is CN(CCCN(CCCN1CCOCC1)C(=O)Oc1c(Cc2ccco2)nc2c(Cc3ccccc3)nc(-c3ccccc3)cn12)C(=O)COCC(=O)O.CNCCCN(CCCN1CCOCC1)C(=O)Oc1c(Cc2ccco2)nc2c(Cc3ccccc3)nc(-c3ccccc3)cn12.O=C1COCC(=O)O1.
What is the InChIKey of [8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] N-[3-(methylamino)propyl]-N-(3-morpholin-4-ylpropyl)carbamate;2-[2-[3-[[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxycarbonyl-(3-morpholin-4-ylpropyl)amino]propyl-methylamino]-2-oxoethoxy]acetic acid;1,4-dioxane-2,6-dione?
The InChIKey is AZDWIJVBMFTXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H46N6O8.C36H42N6O4.C4H4O4/c1-43(36(47)28-52-29-37(48)49)16-9-18-45(19-10-17-44-20-23-51-24-21-44)40(50)54-39-34(26-32-15-8-22-53-32)42-38-33(25-30-11-4-2-5-12-30)41-35(27-46(38)39)31-13-6-3-7-14-31;1-37-16-9-18-41(19-10-17-40-20-23-44-24-21-40)36(43)46-35-32(26-30-15-8-22-45-30)39-34-31(25-28-11-4-2-5-12-28)38-33(27-42(34)35)29-13-6-3-7-14-29;5-3-1-7-2-4(6)8-3/h2-8,11-15,22,27H,9-10,16-21,23-26,28-29H2,1H3,(H,48,49);2-8,11-15,22,27,37H,9-10,16-21,23-26H2,1H3;1-2H2.
What are the key properties of [8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] N-[3-(methylamino)propyl]-N-(3-morpholin-4-ylpropyl)carbamate;2-[2-[3-[[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxycarbonyl-(3-morpholin-4-ylpropyl)amino]propyl-methylamino]-2-oxoethoxy]acetic acid;1,4-dioxane-2,6-dione?
[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] N-[3-(methylamino)propyl]-N-(3-morpholin-4-ylpropyl)carbamate;2-[2-[3-[[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxycarbonyl-(3-morpholin-4-ylpropyl)amino]propyl-methylamino]-2-oxoethoxy]acetic acid;1,4-dioxane-2,6-dione has a molecular weight of 1477.68 g/mol, XLogP of 9.03, 32 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for [8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] N-[3-(methylamino)propyl]-N-(3-morpholin-4-ylpropyl)carbamate;2-[2-[3-[[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxycarbonyl-(3-morpholin-4-ylpropyl)amino]propyl-methylamino]-2-oxoethoxy]acetic acid;1,4-dioxane-2,6-dione is sourced from PubChem (CID 157276465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).