6-chloro-2-ethylimidazo[1,2-a]pyrazine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyrazin-3-yl)-3-[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]propan-1-one;5-chloropyrazin-2-amine;methyl 2-bromo-3-oxopentanoate;methyl 6-chloro-2-ethylimidazo[1,2-a]pyrazine-3-carboxylate

C58H58BrCl4F3N14O9 — CID 160593954

IUPAC6-chloro-2-ethylimidazo[1,2-a]pyrazine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyrazin-3-yl)-3-[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]propan-1-one;5-chloropyrazin-2-amine;methyl 2-bromo-3-oxopentanoate;methyl 6-chloro-2-ethylimidazo[1,2-a]pyrazine-3-carboxylate
SMILESCCC(=O)C(Br)C(=O)OC.CCc1nc2cnc(Cl)cn2c1C(=O)CCc1ccc(N2CC3(C2)CN(c2ccc(OC(F)(F)F)cc2)C3)cc1.CCc1nc2cnc(Cl)cn2c1C(=O)O.CCc1nc2cnc(Cl)cn2c1C(=O)OC.Nc1cnc(Cl)cn1
InChIInChI=1S/C29H27ClF3N5O2.C10H10ClN3O2.C9H8ClN3O2.C6H9BrO3.C4H4ClN3/c1-2-23-27(38-14-25(30)34-13-26(38)35-23)24(39)12-5-19-3-6-20(7-4-19)36-15-28(16-36)17-37(18-28)21-8-10-22(11-9-21)40-29(31,32)33;1-3-6-9(10(15)16-2)14-5-7(11)12-4-8(14)13-6;1-2-5-8(9(14)15)13-4-6(10)11-3-7(13)12-5;1-3-4(8)5(7)6(9)10-2;5-3-1-8-4(6)2-7-3/h3-4,6-11,13-14H,2,5,12,15-18H2,1H3;4-5H,3H2,1-2H3;3-4H,2H2,1H3,(H,14,15);5H,3H2,1-2H3;1-2H,(H2,6,8)
InChIKeyRDJQPOVMZNEBRN-UHFFFAOYSA-N
MW1373.90 g/mol
LogP10.98
Rot. Bonds15

About 6-chloro-2-ethylimidazo[1,2-a]pyrazine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyrazin-3-yl)-3-[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]propan-1-one;5-chloropyrazin-2-amine;methyl 2-bromo-3-oxopentanoate;methyl 6-chloro-2-ethylimidazo[1,2-a]pyrazine-3-carboxylate

6-chloro-2-ethylimidazo[1,2-a]pyrazine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyrazin-3-yl)-3-[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]propan-1-one;5-chloropyrazin-2-amine;methyl 2-bromo-3-oxopentanoate;methyl 6-chloro-2-ethylimidazo[1,2-a]pyrazine-3-carboxylate (PubChem CID 160593954) has the molecular formula C58H58BrCl4F3N14O9 and a molecular weight of 1373.90 g/mol. Its IUPAC name is 6-chloro-2-ethylimidazo[1,2-a]pyrazine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyrazin-3-yl)-3-[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]propan-1-one;5-chloropyrazin-2-amine;methyl 2-bromo-3-oxopentanoate;methyl 6-chloro-2-ethylimidazo[1,2-a]pyrazine-3-carboxylate.

Molecular Properties

Compound Name6-chloro-2-ethylimidazo[1,2-a]pyrazine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyrazin-3-yl)-3-[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]propan-1-one;5-chloropyrazin-2-amine;methyl 2-bromo-3-oxopentanoate;methyl 6-chloro-2-ethylimidazo[1,2-a]pyrazine-3-carboxylate
PubChem CID160593954
Molecular FormulaC58H58BrCl4F3N14O9
Molecular Weight1373.90 g/mol
Exact Mass1370.24
IUPAC Name6-chloro-2-ethylimidazo[1,2-a]pyrazine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyrazin-3-yl)-3-[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]propan-1-one;5-chloropyrazin-2-amine;methyl 2-bromo-3-oxopentanoate;methyl 6-chloro-2-ethylimidazo[1,2-a]pyrazine-3-carboxylate
SMILESCCC(=O)C(Br)C(=O)OC.CCc1nc2cnc(Cl)cn2c1C(=O)CCc1ccc(N2CC3(C2)CN(c2ccc(OC(F)(F)F)cc2)C3)cc1.CCc1nc2cnc(Cl)cn2c1C(=O)O.CCc1nc2cnc(Cl)cn2c1C(=O)OC.Nc1cnc(Cl)cn1
InChIInChI=1S/C29H27ClF3N5O2.C10H10ClN3O2.C9H8ClN3O2.C6H9BrO3.C4H4ClN3/c1-2-23-27(38-14-25(30)34-13-26(38)35-23)24(39)12-5-19-3-6-20(7-4-19)36-15-28(16-36)17-37(18-28)21-8-10-22(11-9-21)40-29(31,32)33;1-3-6-9(10(15)16-2)14-5-7(11)12-4-8(14)13-6;1-2-5-8(9(14)15)13-4-6(10)11-3-7(13)12-5;1-3-4(8)5(7)6(9)10-2;5-3-1-8-4(6)2-7-3/h3-4,6-11,13-14H,2,5,12,15-18H2,1H3;4-5H,3H2,1-2H3;3-4H,2H2,1H3,(H,14,15);5H,3H2,1-2H3;1-2H,(H2,6,8)
InChIKeyRDJQPOVMZNEBRN-UHFFFAOYSA-N
XLogP10.98
TPSA282.12 Ų
H-Bond Donors2
H-Bond Acceptors22
Rotatable Bonds15
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001373.90
LogP ≤ 510.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 6-chloro-2-ethylimidazo[1,2-a]pyrazine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyrazin-3-yl)-3-[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]propan-1-one;5-chloropyrazin-2-amine;methyl 2-bromo-3-oxopentanoate;methyl 6-chloro-2-ethylimidazo[1,2-a]pyrazine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethylimidazo[1,2-a]pyrazine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyrazin-3-yl)-3-[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]propan-1-one;5-chloropyrazin-2-amine;methyl 2-bromo-3-oxopentanoate;methyl 6-chloro-2-ethylimidazo[1,2-a]pyrazine-3-carboxylate?
The IUPAC name of 6-chloro-2-ethylimidazo[1,2-a]pyrazine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyrazin-3-yl)-3-[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]propan-1-one;5-chloropyrazin-2-amine;methyl 2-bromo-3-oxopentanoate;methyl 6-chloro-2-ethylimidazo[1,2-a]pyrazine-3-carboxylate (CID 160593954) is 6-chloro-2-ethylimidazo[1,2-a]pyrazine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyrazin-3-yl)-3-[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]propan-1-one;5-chloropyrazin-2-amine;methyl 2-bromo-3-oxopentanoate;methyl 6-chloro-2-ethylimidazo[1,2-a]pyrazine-3-carboxylate.
What is the SMILES notation for 6-chloro-2-ethylimidazo[1,2-a]pyrazine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyrazin-3-yl)-3-[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]propan-1-one;5-chloropyrazin-2-amine;methyl 2-bromo-3-oxopentanoate;methyl 6-chloro-2-ethylimidazo[1,2-a]pyrazine-3-carboxylate?
The canonical SMILES for 6-chloro-2-ethylimidazo[1,2-a]pyrazine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyrazin-3-yl)-3-[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]propan-1-one;5-chloropyrazin-2-amine;methyl 2-bromo-3-oxopentanoate;methyl 6-chloro-2-ethylimidazo[1,2-a]pyrazine-3-carboxylate is CCC(=O)C(Br)C(=O)OC.CCc1nc2cnc(Cl)cn2c1C(=O)CCc1ccc(N2CC3(C2)CN(c2ccc(OC(F)(F)F)cc2)C3)cc1.CCc1nc2cnc(Cl)cn2c1C(=O)O.CCc1nc2cnc(Cl)cn2c1C(=O)OC.Nc1cnc(Cl)cn1.
What is the InChIKey of 6-chloro-2-ethylimidazo[1,2-a]pyrazine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyrazin-3-yl)-3-[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]propan-1-one;5-chloropyrazin-2-amine;methyl 2-bromo-3-oxopentanoate;methyl 6-chloro-2-ethylimidazo[1,2-a]pyrazine-3-carboxylate?
The InChIKey is RDJQPOVMZNEBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27ClF3N5O2.C10H10ClN3O2.C9H8ClN3O2.C6H9BrO3.C4H4ClN3/c1-2-23-27(38-14-25(30)34-13-26(38)35-23)24(39)12-5-19-3-6-20(7-4-19)36-15-28(16-36)17-37(18-28)21-8-10-22(11-9-21)40-29(31,32)33;1-3-6-9(10(15)16-2)14-5-7(11)12-4-8(14)13-6;1-2-5-8(9(14)15)13-4-6(10)11-3-7(13)12-5;1-3-4(8)5(7)6(9)10-2;5-3-1-8-4(6)2-7-3/h3-4,6-11,13-14H,2,5,12,15-18H2,1H3;4-5H,3H2,1-2H3;3-4H,2H2,1H3,(H,14,15);5H,3H2,1-2H3;1-2H,(H2,6,8).
What are the key properties of 6-chloro-2-ethylimidazo[1,2-a]pyrazine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyrazin-3-yl)-3-[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]propan-1-one;5-chloropyrazin-2-amine;methyl 2-bromo-3-oxopentanoate;methyl 6-chloro-2-ethylimidazo[1,2-a]pyrazine-3-carboxylate?
6-chloro-2-ethylimidazo[1,2-a]pyrazine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyrazin-3-yl)-3-[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]propan-1-one;5-chloropyrazin-2-amine;methyl 2-bromo-3-oxopentanoate;methyl 6-chloro-2-ethylimidazo[1,2-a]pyrazine-3-carboxylate has a molecular weight of 1373.90 g/mol, XLogP of 10.98, 15 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethylimidazo[1,2-a]pyrazine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyrazin-3-yl)-3-[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]propan-1-one;5-chloropyrazin-2-amine;methyl 2-bromo-3-oxopentanoate;methyl 6-chloro-2-ethylimidazo[1,2-a]pyrazine-3-carboxylate is sourced from PubChem (CID 160593954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).