carbon dioxide;6-(4-ethylphenyl)imidazo[1,2-a]pyrazine;[4-(3-iodoimidazo[1,2-a]pyrazin-6-yl)phenyl] formate;[4-(3-iodoimidazo[1,2-a]pyrazin-6-yl)phenyl]-morpholin-4-ylmethanone;morpholine

C49H45I2N11O7 — CID 161171820

IUPACcarbon dioxide;6-(4-ethylphenyl)imidazo[1,2-a]pyrazine;[4-(3-iodoimidazo[1,2-a]pyrazin-6-yl)phenyl] formate;[4-(3-iodoimidazo[1,2-a]pyrazin-6-yl)phenyl]-morpholin-4-ylmethanone;morpholine
SMILESC1COCCN1.CCc1ccc(-c2cn3ccnc3cn2)cc1.O=C(c1ccc(-c2cn3c(I)cnc3cn2)cc1)N1CCOCC1.O=C=O.O=COc1ccc(-c2cn3c(I)cnc3cn2)cc1
InChIInChI=1S/C17H15IN4O2.C14H13N3.C13H8IN3O2.C4H9NO.CO2/c18-15-9-20-16-10-19-14(11-22(15)16)12-1-3-13(4-2-12)17(23)21-5-7-24-8-6-21;1-2-11-3-5-12(6-4-11)13-10-17-8-7-15-14(17)9-16-13;14-12-5-16-13-6-15-11(7-17(12)13)9-1-3-10(4-2-9)19-8-18;1-3-6-4-2-5-1;2-1-3/h1-4,9-11H,5-8H2;3-10H,2H2,1H3;1-8H;5H,1-4H2;
InChIKeyURGZKDOOYGVVJX-UHFFFAOYSA-N
MW1153.78 g/mol
LogP6.99
Rot. Bonds7

About carbon dioxide;6-(4-ethylphenyl)imidazo[1,2-a]pyrazine;[4-(3-iodoimidazo[1,2-a]pyrazin-6-yl)phenyl] formate;[4-(3-iodoimidazo[1,2-a]pyrazin-6-yl)phenyl]-morpholin-4-ylmethanone;morpholine

carbon dioxide;6-(4-ethylphenyl)imidazo[1,2-a]pyrazine;[4-(3-iodoimidazo[1,2-a]pyrazin-6-yl)phenyl] formate;[4-(3-iodoimidazo[1,2-a]pyrazin-6-yl)phenyl]-morpholin-4-ylmethanone;morpholine (PubChem CID 161171820) has the molecular formula C49H45I2N11O7 and a molecular weight of 1153.78 g/mol. Its IUPAC name is carbon dioxide;6-(4-ethylphenyl)imidazo[1,2-a]pyrazine;[4-(3-iodoimidazo[1,2-a]pyrazin-6-yl)phenyl] formate;[4-(3-iodoimidazo[1,2-a]pyrazin-6-yl)phenyl]-morpholin-4-ylmethanone;morpholine.

Molecular Properties

Compound Namecarbon dioxide;6-(4-ethylphenyl)imidazo[1,2-a]pyrazine;[4-(3-iodoimidazo[1,2-a]pyrazin-6-yl)phenyl] formate;[4-(3-iodoimidazo[1,2-a]pyrazin-6-yl)phenyl]-morpholin-4-ylmethanone;morpholine
PubChem CID161171820
Molecular FormulaC49H45I2N11O7
Molecular Weight1153.78 g/mol
Exact Mass1153.16
IUPAC Namecarbon dioxide;6-(4-ethylphenyl)imidazo[1,2-a]pyrazine;[4-(3-iodoimidazo[1,2-a]pyrazin-6-yl)phenyl] formate;[4-(3-iodoimidazo[1,2-a]pyrazin-6-yl)phenyl]-morpholin-4-ylmethanone;morpholine
SMILESC1COCCN1.CCc1ccc(-c2cn3ccnc3cn2)cc1.O=C(c1ccc(-c2cn3c(I)cnc3cn2)cc1)N1CCOCC1.O=C=O.O=COc1ccc(-c2cn3c(I)cnc3cn2)cc1
InChIInChI=1S/C17H15IN4O2.C14H13N3.C13H8IN3O2.C4H9NO.CO2/c18-15-9-20-16-10-19-14(11-22(15)16)12-1-3-13(4-2-12)17(23)21-5-7-24-8-6-21;1-2-11-3-5-12(6-4-11)13-10-17-8-7-15-14(17)9-16-13;14-12-5-16-13-6-15-11(7-17(12)13)9-1-3-10(4-2-9)19-8-18;1-3-6-4-2-5-1;2-1-3/h1-4,9-11H,5-8H2;3-10H,2H2,1H3;1-8H;5H,1-4H2;
InChIKeyURGZKDOOYGVVJX-UHFFFAOYSA-N
XLogP6.99
TPSA201.81 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001153.78
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze carbon dioxide;6-(4-ethylphenyl)imidazo[1,2-a]pyrazine;[4-(3-iodoimidazo[1,2-a]pyrazin-6-yl)phenyl] formate;[4-(3-iodoimidazo[1,2-a]pyrazin-6-yl)phenyl]-morpholin-4-ylmethanone;morpholine with MolForge

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Related Compounds

[4-[3-(4-aminophenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]-morpholin-4-ylmethanone
CID 134505023
morpholin-4-yl-[4-(5-pentyl-2-pyridinyl)phenyl]methanone
CID 5104728
4-iodobenzoic acid;(4-iodophenyl)-morpholin-4-ylmethanone;morpholine
CID 162077831
[4-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 3530238
morpholin-4-yl-[4-(4-octoxyphenyl)phenyl]methanone
CID 3399674
[4-(imidazo[1,2-a]pyridin-3-ylmethoxy)phenyl]-morpholin-4-ylmethanone
CID 162636193
(E)-3-(4-ethylphenyl)-1-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-en-1-one
CID 8814820
(4-ethylphenyl)-[3-(morpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 91914447
[2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]-morpholin-4-ylmethanone
CID 22523538
(4-ethylphenyl)-[4-(pyridazine-4-carbonyl)piperazin-1-yl]methanone
CID 146084360
N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-[(4-ethylphenoxy)methyl]benzamide
CID 19338889
morpholin-4-yl-[4-[3-[2-(1H-pyrazolo[3,4-b]pyridin-4-yl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone
CID 118000324

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;6-(4-ethylphenyl)imidazo[1,2-a]pyrazine;[4-(3-iodoimidazo[1,2-a]pyrazin-6-yl)phenyl] formate;[4-(3-iodoimidazo[1,2-a]pyrazin-6-yl)phenyl]-morpholin-4-ylmethanone;morpholine?
The IUPAC name of carbon dioxide;6-(4-ethylphenyl)imidazo[1,2-a]pyrazine;[4-(3-iodoimidazo[1,2-a]pyrazin-6-yl)phenyl] formate;[4-(3-iodoimidazo[1,2-a]pyrazin-6-yl)phenyl]-morpholin-4-ylmethanone;morpholine (CID 161171820) is carbon dioxide;6-(4-ethylphenyl)imidazo[1,2-a]pyrazine;[4-(3-iodoimidazo[1,2-a]pyrazin-6-yl)phenyl] formate;[4-(3-iodoimidazo[1,2-a]pyrazin-6-yl)phenyl]-morpholin-4-ylmethanone;morpholine.
What is the SMILES notation for carbon dioxide;6-(4-ethylphenyl)imidazo[1,2-a]pyrazine;[4-(3-iodoimidazo[1,2-a]pyrazin-6-yl)phenyl] formate;[4-(3-iodoimidazo[1,2-a]pyrazin-6-yl)phenyl]-morpholin-4-ylmethanone;morpholine?
The canonical SMILES for carbon dioxide;6-(4-ethylphenyl)imidazo[1,2-a]pyrazine;[4-(3-iodoimidazo[1,2-a]pyrazin-6-yl)phenyl] formate;[4-(3-iodoimidazo[1,2-a]pyrazin-6-yl)phenyl]-morpholin-4-ylmethanone;morpholine is C1COCCN1.CCc1ccc(-c2cn3ccnc3cn2)cc1.O=C(c1ccc(-c2cn3c(I)cnc3cn2)cc1)N1CCOCC1.O=C=O.O=COc1ccc(-c2cn3c(I)cnc3cn2)cc1.
What is the InChIKey of carbon dioxide;6-(4-ethylphenyl)imidazo[1,2-a]pyrazine;[4-(3-iodoimidazo[1,2-a]pyrazin-6-yl)phenyl] formate;[4-(3-iodoimidazo[1,2-a]pyrazin-6-yl)phenyl]-morpholin-4-ylmethanone;morpholine?
The InChIKey is URGZKDOOYGVVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15IN4O2.C14H13N3.C13H8IN3O2.C4H9NO.CO2/c18-15-9-20-16-10-19-14(11-22(15)16)12-1-3-13(4-2-12)17(23)21-5-7-24-8-6-21;1-2-11-3-5-12(6-4-11)13-10-17-8-7-15-14(17)9-16-13;14-12-5-16-13-6-15-11(7-17(12)13)9-1-3-10(4-2-9)19-8-18;1-3-6-4-2-5-1;2-1-3/h1-4,9-11H,5-8H2;3-10H,2H2,1H3;1-8H;5H,1-4H2;.
What are the key properties of carbon dioxide;6-(4-ethylphenyl)imidazo[1,2-a]pyrazine;[4-(3-iodoimidazo[1,2-a]pyrazin-6-yl)phenyl] formate;[4-(3-iodoimidazo[1,2-a]pyrazin-6-yl)phenyl]-morpholin-4-ylmethanone;morpholine?
carbon dioxide;6-(4-ethylphenyl)imidazo[1,2-a]pyrazine;[4-(3-iodoimidazo[1,2-a]pyrazin-6-yl)phenyl] formate;[4-(3-iodoimidazo[1,2-a]pyrazin-6-yl)phenyl]-morpholin-4-ylmethanone;morpholine has a molecular weight of 1153.78 g/mol, XLogP of 6.99, 7 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;6-(4-ethylphenyl)imidazo[1,2-a]pyrazine;[4-(3-iodoimidazo[1,2-a]pyrazin-6-yl)phenyl] formate;[4-(3-iodoimidazo[1,2-a]pyrazin-6-yl)phenyl]-morpholin-4-ylmethanone;morpholine is sourced from PubChem (CID 161171820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).