2-(azetidin-3-yloxy)-5-bromopyrazine;2-bromo-5-[1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-yl]oxypyrazine;tert-butyl 3-(5-bromopyrazin-2-yl)oxyazetidine-1-carboxylate;tert-butyl 3-oxopiperazine-1-carboxylate;tert-butyl 3-oxo-4-[5-[1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-yl]oxypyrazin-2-yl]piperazine-1-carboxylate;4-methylsulfonyl-1-[5-[1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-yl]oxypyrazin-2-yl]piperazin-2-one;1-[5-[1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-yl]oxypyrazin-2-yl]piperazin-2-one

C106H123Br3F12N26O22S — CID 161376776

IUPAC2-(azetidin-3-yloxy)-5-bromopyrazine;2-bromo-5-[1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-yl]oxypyrazine;tert-butyl 3-(5-bromopyrazin-2-yl)oxyazetidine-1-carboxylate;tert-butyl 3-oxopiperazine-1-carboxylate;tert-butyl 3-oxo-4-[5-[1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-yl]oxypyrazin-2-yl]piperazine-1-carboxylate;4-methylsulfonyl-1-[5-[1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-yl]oxypyrazin-2-yl]piperazin-2-one;1-[5-[1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-yl]oxypyrazin-2-yl]piperazin-2-one
SMILESBrc1cnc(OC2CNC2)cn1.CC(C)(C)OC(=O)N1CC(Oc2cnc(Br)cn2)C1.CC(C)(C)OC(=O)N1CCN(c2cnc(OC3CN(Cc4ccc(OC(F)(F)F)cc4)C3)cn2)C(=O)C1.CC(C)(C)OC(=O)N1CCNC(=O)C1.CS(=O)(=O)N1CCN(c2cnc(OC3CN(Cc4ccc(OC(F)(F)F)cc4)C3)cn2)C(=O)C1.FC(F)(F)Oc1ccc(CN2CC(Oc3cnc(Br)cn3)C2)cc1.O=C1CNCCN1c1cnc(OC2CN(Cc3ccc(OC(F)(F)F)cc3)C2)cn1
InChIInChI=1S/C24H28F3N5O5.C20H22F3N5O5S.C19H20F3N5O3.C15H13BrF3N3O2.C12H16BrN3O3.C9H16N2O3.C7H8BrN3O/c1-23(2,3)37-22(34)31-8-9-32(21(33)15-31)19-10-29-20(11-28-19)35-18-13-30(14-18)12-16-4-6-17(7-5-16)36-24(25,26)27;1-34(30,31)27-6-7-28(19(29)13-27)17-8-25-18(9-24-17)32-16-11-26(12-16)10-14-2-4-15(5-3-14)33-20(21,22)23;20-19(21,22)30-14-3-1-13(2-4-14)10-26-11-15(12-26)29-17-8-24-16(7-25-17)27-6-5-23-9-18(27)28;16-13-5-21-14(6-20-13)23-12-8-22(9-12)7-10-1-3-11(4-2-10)24-15(17,18)19;1-12(2,3)19-11(17)16-6-8(7-16)18-10-5-14-9(13)4-15-10;1-9(2,3)14-8(13)11-5-4-10-7(12)6-11;8-6-3-11-7(4-10-6)12-5-1-9-2-5/h4-7,10-11,18H,8-9,12-15H2,1-3H3;2-5,8-9,16H,6-7,10-13H2,1H3;1-4,7-8,15,23H,5-6,9-12H2;1-6,12H,7-9H2;4-5,8H,6-7H2,1-3H3;4-6H2,1-3H3,(H,10,12);3-5,9H,1-2H2
InChIKeyVREJNMORACVIKF-UHFFFAOYSA-N
MW2613.06 g/mol
LogP12.62
Rot. Bonds28

About 2-(azetidin-3-yloxy)-5-bromopyrazine;2-bromo-5-[1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-yl]oxypyrazine;tert-butyl 3-(5-bromopyrazin-2-yl)oxyazetidine-1-carboxylate;tert-butyl 3-oxopiperazine-1-carboxylate;tert-butyl 3-oxo-4-[5-[1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-yl]oxypyrazin-2-yl]piperazine-1-carboxylate;4-methylsulfonyl-1-[5-[1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-yl]oxypyrazin-2-yl]piperazin-2-one;1-[5-[1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-yl]oxypyrazin-2-yl]piperazin-2-one

2-(azetidin-3-yloxy)-5-bromopyrazine;2-bromo-5-[1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-yl]oxypyrazine;tert-butyl 3-(5-bromopyrazin-2-yl)oxyazetidine-1-carboxylate;tert-butyl 3-oxopiperazine-1-carboxylate;tert-butyl 3-oxo-4-[5-[1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-yl]oxypyrazin-2-yl]piperazine-1-carboxylate;4-methylsulfonyl-1-[5-[1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-yl]oxypyrazin-2-yl]piperazin-2-one;1-[5-[1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-yl]oxypyrazin-2-yl]piperazin-2-one (PubChem CID 161376776) has the molecular formula C106H123Br3F12N26O22S and a molecular weight of 2613.06 g/mol. Its IUPAC name is 2-(azetidin-3-yloxy)-5-bromopyrazine;2-bromo-5-[1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-yl]oxypyrazine;tert-butyl 3-(5-bromopyrazin-2-yl)oxyazetidine-1-carboxylate;tert-butyl 3-oxopiperazine-1-carboxylate;tert-butyl 3-oxo-4-[5-[1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-yl]oxypyrazin-2-yl]piperazine-1-carboxylate;4-methylsulfonyl-1-[5-[1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-yl]oxypyrazin-2-yl]piperazin-2-one;1-[5-[1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-yl]oxypyrazin-2-yl]piperazin-2-one.

Molecular Properties

Compound Name2-(azetidin-3-yloxy)-5-bromopyrazine;2-bromo-5-[1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-yl]oxypyrazine;tert-butyl 3-(5-bromopyrazin-2-yl)oxyazetidine-1-carboxylate;tert-butyl 3-oxopiperazine-1-carboxylate;tert-butyl 3-oxo-4-[5-[1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-yl]oxypyrazin-2-yl]piperazine-1-carboxylate;4-methylsulfonyl-1-[5-[1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-yl]oxypyrazin-2-yl]piperazin-2-one;1-[5-[1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-yl]oxypyrazin-2-yl]piperazin-2-one
PubChem CID161376776
Molecular FormulaC106H123Br3F12N26O22S
Molecular Weight2613.06 g/mol
Exact Mass2608.64
IUPAC Name2-(azetidin-3-yloxy)-5-bromopyrazine;2-bromo-5-[1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-yl]oxypyrazine;tert-butyl 3-(5-bromopyrazin-2-yl)oxyazetidine-1-carboxylate;tert-butyl 3-oxopiperazine-1-carboxylate;tert-butyl 3-oxo-4-[5-[1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-yl]oxypyrazin-2-yl]piperazine-1-carboxylate;4-methylsulfonyl-1-[5-[1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-yl]oxypyrazin-2-yl]piperazin-2-one;1-[5-[1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-yl]oxypyrazin-2-yl]piperazin-2-one
SMILESBrc1cnc(OC2CNC2)cn1.CC(C)(C)OC(=O)N1CC(Oc2cnc(Br)cn2)C1.CC(C)(C)OC(=O)N1CCN(c2cnc(OC3CN(Cc4ccc(OC(F)(F)F)cc4)C3)cn2)C(=O)C1.CC(C)(C)OC(=O)N1CCNC(=O)C1.CS(=O)(=O)N1CCN(c2cnc(OC3CN(Cc4ccc(OC(F)(F)F)cc4)C3)cn2)C(=O)C1.FC(F)(F)Oc1ccc(CN2CC(Oc3cnc(Br)cn3)C2)cc1.O=C1CNCCN1c1cnc(OC2CN(Cc3ccc(OC(F)(F)F)cc3)C2)cn1
InChIInChI=1S/C24H28F3N5O5.C20H22F3N5O5S.C19H20F3N5O3.C15H13BrF3N3O2.C12H16BrN3O3.C9H16N2O3.C7H8BrN3O/c1-23(2,3)37-22(34)31-8-9-32(21(33)15-31)19-10-29-20(11-28-19)35-18-13-30(14-18)12-16-4-6-17(7-5-16)36-24(25,26)27;1-34(30,31)27-6-7-28(19(29)13-27)17-8-25-18(9-24-17)32-16-11-26(12-16)10-14-2-4-15(5-3-14)33-20(21,22)23;20-19(21,22)30-14-3-1-13(2-4-14)10-26-11-15(12-26)29-17-8-24-16(7-25-17)27-6-5-23-9-18(27)28;16-13-5-21-14(6-20-13)23-12-8-22(9-12)7-10-1-3-11(4-2-10)24-15(17,18)19;1-12(2,3)19-11(17)16-6-8(7-16)18-10-5-14-9(13)4-15-10;1-9(2,3)14-8(13)11-5-4-10-7(12)6-11;8-6-3-11-7(4-10-6)12-5-1-9-2-5/h4-7,10-11,18H,8-9,12-15H2,1-3H3;2-5,8-9,16H,6-7,10-13H2,1H3;1-4,7-8,15,23H,5-6,9-12H2;1-6,12H,7-9H2;4-5,8H,6-7H2,1-3H3;4-6H2,1-3H3,(H,10,12);3-5,9H,1-2H2
InChIKeyVREJNMORACVIKF-UHFFFAOYSA-N
XLogP12.62
TPSA500.03 Ų
H-Bond Donors3
H-Bond Acceptors40
Rotatable Bonds28
Heavy Atoms170
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002613.06
LogP ≤ 512.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 2-(azetidin-3-yloxy)-5-bromopyrazine;2-bromo-5-[1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-yl]oxypyrazine;tert-butyl 3-(5-bromopyrazin-2-yl)oxyazetidine-1-carboxylate;tert-butyl 3-oxopiperazine-1-carboxylate;tert-butyl 3-oxo-4-[5-[1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-yl]oxypyrazin-2-yl]piperazine-1-carboxylate;4-methylsulfonyl-1-[5-[1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-yl]oxypyrazin-2-yl]piperazin-2-one;1-[5-[1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-yl]oxypyrazin-2-yl]piperazin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yloxy)-5-bromopyrazine;2-bromo-5-[1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-yl]oxypyrazine;tert-butyl 3-(5-bromopyrazin-2-yl)oxyazetidine-1-carboxylate;tert-butyl 3-oxopiperazine-1-carboxylate;tert-butyl 3-oxo-4-[5-[1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-yl]oxypyrazin-2-yl]piperazine-1-carboxylate;4-methylsulfonyl-1-[5-[1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-yl]oxypyrazin-2-yl]piperazin-2-one;1-[5-[1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-yl]oxypyrazin-2-yl]piperazin-2-one?
The IUPAC name of 2-(azetidin-3-yloxy)-5-bromopyrazine;2-bromo-5-[1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-yl]oxypyrazine;tert-butyl 3-(5-bromopyrazin-2-yl)oxyazetidine-1-carboxylate;tert-butyl 3-oxopiperazine-1-carboxylate;tert-butyl 3-oxo-4-[5-[1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-yl]oxypyrazin-2-yl]piperazine-1-carboxylate;4-methylsulfonyl-1-[5-[1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-yl]oxypyrazin-2-yl]piperazin-2-one;1-[5-[1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-yl]oxypyrazin-2-yl]piperazin-2-one (CID 161376776) is 2-(azetidin-3-yloxy)-5-bromopyrazine;2-bromo-5-[1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-yl]oxypyrazine;tert-butyl 3-(5-bromopyrazin-2-yl)oxyazetidine-1-carboxylate;tert-butyl 3-oxopiperazine-1-carboxylate;tert-butyl 3-oxo-4-[5-[1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-yl]oxypyrazin-2-yl]piperazine-1-carboxylate;4-methylsulfonyl-1-[5-[1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-yl]oxypyrazin-2-yl]piperazin-2-one;1-[5-[1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-yl]oxypyrazin-2-yl]piperazin-2-one.
What is the SMILES notation for 2-(azetidin-3-yloxy)-5-bromopyrazine;2-bromo-5-[1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-yl]oxypyrazine;tert-butyl 3-(5-bromopyrazin-2-yl)oxyazetidine-1-carboxylate;tert-butyl 3-oxopiperazine-1-carboxylate;tert-butyl 3-oxo-4-[5-[1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-yl]oxypyrazin-2-yl]piperazine-1-carboxylate;4-methylsulfonyl-1-[5-[1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-yl]oxypyrazin-2-yl]piperazin-2-one;1-[5-[1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-yl]oxypyrazin-2-yl]piperazin-2-one?
The canonical SMILES for 2-(azetidin-3-yloxy)-5-bromopyrazine;2-bromo-5-[1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-yl]oxypyrazine;tert-butyl 3-(5-bromopyrazin-2-yl)oxyazetidine-1-carboxylate;tert-butyl 3-oxopiperazine-1-carboxylate;tert-butyl 3-oxo-4-[5-[1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-yl]oxypyrazin-2-yl]piperazine-1-carboxylate;4-methylsulfonyl-1-[5-[1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-yl]oxypyrazin-2-yl]piperazin-2-one;1-[5-[1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-yl]oxypyrazin-2-yl]piperazin-2-one is Brc1cnc(OC2CNC2)cn1.CC(C)(C)OC(=O)N1CC(Oc2cnc(Br)cn2)C1.CC(C)(C)OC(=O)N1CCN(c2cnc(OC3CN(Cc4ccc(OC(F)(F)F)cc4)C3)cn2)C(=O)C1.CC(C)(C)OC(=O)N1CCNC(=O)C1.CS(=O)(=O)N1CCN(c2cnc(OC3CN(Cc4ccc(OC(F)(F)F)cc4)C3)cn2)C(=O)C1.FC(F)(F)Oc1ccc(CN2CC(Oc3cnc(Br)cn3)C2)cc1.O=C1CNCCN1c1cnc(OC2CN(Cc3ccc(OC(F)(F)F)cc3)C2)cn1.
What is the InChIKey of 2-(azetidin-3-yloxy)-5-bromopyrazine;2-bromo-5-[1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-yl]oxypyrazine;tert-butyl 3-(5-bromopyrazin-2-yl)oxyazetidine-1-carboxylate;tert-butyl 3-oxopiperazine-1-carboxylate;tert-butyl 3-oxo-4-[5-[1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-yl]oxypyrazin-2-yl]piperazine-1-carboxylate;4-methylsulfonyl-1-[5-[1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-yl]oxypyrazin-2-yl]piperazin-2-one;1-[5-[1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-yl]oxypyrazin-2-yl]piperazin-2-one?
The InChIKey is VREJNMORACVIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N5O5.C20H22F3N5O5S.C19H20F3N5O3.C15H13BrF3N3O2.C12H16BrN3O3.C9H16N2O3.C7H8BrN3O/c1-23(2,3)37-22(34)31-8-9-32(21(33)15-31)19-10-29-20(11-28-19)35-18-13-30(14-18)12-16-4-6-17(7-5-16)36-24(25,26)27;1-34(30,31)27-6-7-28(19(29)13-27)17-8-25-18(9-24-17)32-16-11-26(12-16)10-14-2-4-15(5-3-14)33-20(21,22)23;20-19(21,22)30-14-3-1-13(2-4-14)10-26-11-15(12-26)29-17-8-24-16(7-25-17)27-6-5-23-9-18(27)28;16-13-5-21-14(6-20-13)23-12-8-22(9-12)7-10-1-3-11(4-2-10)24-15(17,18)19;1-12(2,3)19-11(17)16-6-8(7-16)18-10-5-14-9(13)4-15-10;1-9(2,3)14-8(13)11-5-4-10-7(12)6-11;8-6-3-11-7(4-10-6)12-5-1-9-2-5/h4-7,10-11,18H,8-9,12-15H2,1-3H3;2-5,8-9,16H,6-7,10-13H2,1H3;1-4,7-8,15,23H,5-6,9-12H2;1-6,12H,7-9H2;4-5,8H,6-7H2,1-3H3;4-6H2,1-3H3,(H,10,12);3-5,9H,1-2H2.
What are the key properties of 2-(azetidin-3-yloxy)-5-bromopyrazine;2-bromo-5-[1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-yl]oxypyrazine;tert-butyl 3-(5-bromopyrazin-2-yl)oxyazetidine-1-carboxylate;tert-butyl 3-oxopiperazine-1-carboxylate;tert-butyl 3-oxo-4-[5-[1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-yl]oxypyrazin-2-yl]piperazine-1-carboxylate;4-methylsulfonyl-1-[5-[1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-yl]oxypyrazin-2-yl]piperazin-2-one;1-[5-[1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-yl]oxypyrazin-2-yl]piperazin-2-one?
2-(azetidin-3-yloxy)-5-bromopyrazine;2-bromo-5-[1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-yl]oxypyrazine;tert-butyl 3-(5-bromopyrazin-2-yl)oxyazetidine-1-carboxylate;tert-butyl 3-oxopiperazine-1-carboxylate;tert-butyl 3-oxo-4-[5-[1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-yl]oxypyrazin-2-yl]piperazine-1-carboxylate;4-methylsulfonyl-1-[5-[1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-yl]oxypyrazin-2-yl]piperazin-2-one;1-[5-[1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-yl]oxypyrazin-2-yl]piperazin-2-one has a molecular weight of 2613.06 g/mol, XLogP of 12.62, 28 rotatable bonds, 3 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yloxy)-5-bromopyrazine;2-bromo-5-[1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-yl]oxypyrazine;tert-butyl 3-(5-bromopyrazin-2-yl)oxyazetidine-1-carboxylate;tert-butyl 3-oxopiperazine-1-carboxylate;tert-butyl 3-oxo-4-[5-[1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-yl]oxypyrazin-2-yl]piperazine-1-carboxylate;4-methylsulfonyl-1-[5-[1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-yl]oxypyrazin-2-yl]piperazin-2-one;1-[5-[1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-yl]oxypyrazin-2-yl]piperazin-2-one is sourced from PubChem (CID 161376776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).