[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2,2-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-ethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;(4,5-dibromofuran-2-yl)-[2-ethyl-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methanone;(4,5-dibromofuran-2-yl)-[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;(4,5-dibromofuran-2-yl)-[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-propylpiperazin-1-yl]methanone;[2-ethyl-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-propylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone

C149H148Br6Cl2F5N39O21 — CID 159269024

IUPAC[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2,2-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-ethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;(4,5-dibromofuran-2-yl)-[2-ethyl-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methanone;(4,5-dibromofuran-2-yl)-[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;(4,5-dibromofuran-2-yl)-[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-propylpiperazin-1-yl]methanone;[2-ethyl-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-propylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone
SMILESCCC1CN(C(=O)c2ncn(-c3cccc(Cl)c3)n2)CCN1C(=O)c1cccc(OC)n1.CCC1CN(C(=O)c2ncn(-c3cccc(F)c3)n2)CCN1C(=O)c1cc(Br)c(Br)o1.CCC1CN(C(=O)c2ncn(-c3cccc(F)c3)n2)CCN1C(=O)c1cccc(OC)n1.CCC[C@H]1CN(C(=O)c2ncn(-c3cccc(F)c3)n2)CCN1C(=O)c1cc(Br)c(Br)o1.CCC[C@H]1CN(C(=O)c2ncn(-c3cccc(F)c3)n2)CCN1C(=O)c1cccc(OC)n1.COc1cccc(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)CC2(C)C)n1.C[C@H]1CN(C(=O)c2ncn(-c3cccc(F)c3)n2)CCN1C(=O)c1cc(Br)c(Br)o1
InChIInChI=1S/C23H25FN6O3.2C22H23ClN6O3.C22H23FN6O3.C21H20Br2FN5O3.C20H18Br2FN5O3.C19H16Br2FN5O3/c1-3-6-18-14-28(11-12-29(18)22(31)19-9-5-10-20(26-19)33-2)23(32)21-25-15-30(27-21)17-8-4-7-16(24)13-17;1-22(2)13-27(10-11-28(22)20(30)17-8-5-9-18(25-17)32-3)21(31)19-24-14-29(26-19)16-7-4-6-15(23)12-16;2*1-3-16-13-27(10-11-28(16)21(30)18-8-5-9-19(25-18)32-2)22(31)20-24-14-29(26-20)17-7-4-6-15(23)12-17;1-2-4-15-11-27(7-8-28(15)20(30)17-10-16(22)18(23)32-17)21(31)19-25-12-29(26-19)14-6-3-5-13(24)9-14;1-2-13-10-26(6-7-27(13)19(29)16-9-15(21)17(22)31-16)20(30)18-24-11-28(25-18)14-5-3-4-12(23)8-14;1-11-9-25(5-6-26(11)18(28)15-8-14(20)16(21)30-15)19(29)17-23-10-27(24-17)13-4-2-3-12(22)7-13/h4-5,7-10,13,15,18H,3,6,11-12,14H2,1-2H3;4-9,12,14H,10-11,13H2,1-3H3;2*4-9,12,14,16H,3,10-11,13H2,1-2H3;3,5-6,9-10,12,15H,2,4,7-8,11H2,1H3;3-5,8-9,11,13H,2,6-7,10H2,1H3;2-4,7-8,10-11H,5-6,9H2,1H3/t18-;;;;15-;;11-/m0...0.0/s1
InChIKeyKXLWNKKBYJQSDT-JNYHCUGTSA-N
MW3466.39 g/mol
LogP21.87
Rot. Bonds32

About [4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2,2-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-ethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;(4,5-dibromofuran-2-yl)-[2-ethyl-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methanone;(4,5-dibromofuran-2-yl)-[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;(4,5-dibromofuran-2-yl)-[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-propylpiperazin-1-yl]methanone;[2-ethyl-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-propylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone

[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2,2-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-ethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;(4,5-dibromofuran-2-yl)-[2-ethyl-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methanone;(4,5-dibromofuran-2-yl)-[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;(4,5-dibromofuran-2-yl)-[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-propylpiperazin-1-yl]methanone;[2-ethyl-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-propylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone (PubChem CID 159269024) has the molecular formula C149H148Br6Cl2F5N39O21 and a molecular weight of 3466.39 g/mol. Its IUPAC name is [4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2,2-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-ethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;(4,5-dibromofuran-2-yl)-[2-ethyl-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methanone;(4,5-dibromofuran-2-yl)-[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;(4,5-dibromofuran-2-yl)-[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-propylpiperazin-1-yl]methanone;[2-ethyl-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-propylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone.

Molecular Properties

Compound Name[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2,2-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-ethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;(4,5-dibromofuran-2-yl)-[2-ethyl-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methanone;(4,5-dibromofuran-2-yl)-[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;(4,5-dibromofuran-2-yl)-[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-propylpiperazin-1-yl]methanone;[2-ethyl-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-propylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone
PubChem CID159269024
Molecular FormulaC149H148Br6Cl2F5N39O21
Molecular Weight3466.39 g/mol
Exact Mass3457.61
IUPAC Name[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2,2-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-ethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;(4,5-dibromofuran-2-yl)-[2-ethyl-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methanone;(4,5-dibromofuran-2-yl)-[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;(4,5-dibromofuran-2-yl)-[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-propylpiperazin-1-yl]methanone;[2-ethyl-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-propylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone
SMILESCCC1CN(C(=O)c2ncn(-c3cccc(Cl)c3)n2)CCN1C(=O)c1cccc(OC)n1.CCC1CN(C(=O)c2ncn(-c3cccc(F)c3)n2)CCN1C(=O)c1cc(Br)c(Br)o1.CCC1CN(C(=O)c2ncn(-c3cccc(F)c3)n2)CCN1C(=O)c1cccc(OC)n1.CCC[C@H]1CN(C(=O)c2ncn(-c3cccc(F)c3)n2)CCN1C(=O)c1cc(Br)c(Br)o1.CCC[C@H]1CN(C(=O)c2ncn(-c3cccc(F)c3)n2)CCN1C(=O)c1cccc(OC)n1.COc1cccc(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)CC2(C)C)n1.C[C@H]1CN(C(=O)c2ncn(-c3cccc(F)c3)n2)CCN1C(=O)c1cc(Br)c(Br)o1
InChIInChI=1S/C23H25FN6O3.2C22H23ClN6O3.C22H23FN6O3.C21H20Br2FN5O3.C20H18Br2FN5O3.C19H16Br2FN5O3/c1-3-6-18-14-28(11-12-29(18)22(31)19-9-5-10-20(26-19)33-2)23(32)21-25-15-30(27-21)17-8-4-7-16(24)13-17;1-22(2)13-27(10-11-28(22)20(30)17-8-5-9-18(25-17)32-3)21(31)19-24-14-29(26-19)16-7-4-6-15(23)12-16;2*1-3-16-13-27(10-11-28(16)21(30)18-8-5-9-19(25-18)32-2)22(31)20-24-14-29(26-20)17-7-4-6-15(23)12-17;1-2-4-15-11-27(7-8-28(15)20(30)17-10-16(22)18(23)32-17)21(31)19-25-12-29(26-19)14-6-3-5-13(24)9-14;1-2-13-10-26(6-7-27(13)19(29)16-9-15(21)17(22)31-16)20(30)18-24-11-28(25-18)14-5-3-4-12(23)8-14;1-11-9-25(5-6-26(11)18(28)15-8-14(20)16(21)30-15)19(29)17-23-10-27(24-17)13-4-2-3-12(22)7-13/h4-5,7-10,13,15,18H,3,6,11-12,14H2,1-2H3;4-9,12,14H,10-11,13H2,1-3H3;2*4-9,12,14,16H,3,10-11,13H2,1-2H3;3,5-6,9-10,12,15H,2,4,7-8,11H2,1H3;3-5,8-9,11,13H,2,6-7,10H2,1H3;2-4,7-8,10-11H,5-6,9H2,1H3/t18-;;;;15-;;11-/m0...0.0/s1
InChIKeyKXLWNKKBYJQSDT-JNYHCUGTSA-N
XLogP21.87
TPSA627.21 Ų
H-Bond Donors
H-Bond Acceptors46
Rotatable Bonds32
Heavy Atoms222
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003466.39
LogP ≤ 521.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1046

Analyze [4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2,2-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-ethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;(4,5-dibromofuran-2-yl)-[2-ethyl-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methanone;(4,5-dibromofuran-2-yl)-[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;(4,5-dibromofuran-2-yl)-[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-propylpiperazin-1-yl]methanone;[2-ethyl-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-propylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2,2-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-ethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;(4,5-dibromofuran-2-yl)-[2-ethyl-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methanone;(4,5-dibromofuran-2-yl)-[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;(4,5-dibromofuran-2-yl)-[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-propylpiperazin-1-yl]methanone;[2-ethyl-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-propylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone?
The IUPAC name of [4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2,2-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-ethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;(4,5-dibromofuran-2-yl)-[2-ethyl-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methanone;(4,5-dibromofuran-2-yl)-[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;(4,5-dibromofuran-2-yl)-[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-propylpiperazin-1-yl]methanone;[2-ethyl-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-propylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone (CID 159269024) is [4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2,2-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-ethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;(4,5-dibromofuran-2-yl)-[2-ethyl-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methanone;(4,5-dibromofuran-2-yl)-[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;(4,5-dibromofuran-2-yl)-[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-propylpiperazin-1-yl]methanone;[2-ethyl-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-propylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone.
What is the SMILES notation for [4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2,2-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-ethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;(4,5-dibromofuran-2-yl)-[2-ethyl-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methanone;(4,5-dibromofuran-2-yl)-[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;(4,5-dibromofuran-2-yl)-[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-propylpiperazin-1-yl]methanone;[2-ethyl-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-propylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone?
The canonical SMILES for [4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2,2-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-ethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;(4,5-dibromofuran-2-yl)-[2-ethyl-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methanone;(4,5-dibromofuran-2-yl)-[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;(4,5-dibromofuran-2-yl)-[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-propylpiperazin-1-yl]methanone;[2-ethyl-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-propylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone is CCC1CN(C(=O)c2ncn(-c3cccc(Cl)c3)n2)CCN1C(=O)c1cccc(OC)n1.CCC1CN(C(=O)c2ncn(-c3cccc(F)c3)n2)CCN1C(=O)c1cc(Br)c(Br)o1.CCC1CN(C(=O)c2ncn(-c3cccc(F)c3)n2)CCN1C(=O)c1cccc(OC)n1.CCC[C@H]1CN(C(=O)c2ncn(-c3cccc(F)c3)n2)CCN1C(=O)c1cc(Br)c(Br)o1.CCC[C@H]1CN(C(=O)c2ncn(-c3cccc(F)c3)n2)CCN1C(=O)c1cccc(OC)n1.COc1cccc(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)CC2(C)C)n1.C[C@H]1CN(C(=O)c2ncn(-c3cccc(F)c3)n2)CCN1C(=O)c1cc(Br)c(Br)o1.
What is the InChIKey of [4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2,2-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-ethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;(4,5-dibromofuran-2-yl)-[2-ethyl-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methanone;(4,5-dibromofuran-2-yl)-[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;(4,5-dibromofuran-2-yl)-[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-propylpiperazin-1-yl]methanone;[2-ethyl-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-propylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone?
The InChIKey is KXLWNKKBYJQSDT-JNYHCUGTSA-N. The full InChI is InChI=1S/C23H25FN6O3.2C22H23ClN6O3.C22H23FN6O3.C21H20Br2FN5O3.C20H18Br2FN5O3.C19H16Br2FN5O3/c1-3-6-18-14-28(11-12-29(18)22(31)19-9-5-10-20(26-19)33-2)23(32)21-25-15-30(27-21)17-8-4-7-16(24)13-17;1-22(2)13-27(10-11-28(22)20(30)17-8-5-9-18(25-17)32-3)21(31)19-24-14-29(26-19)16-7-4-6-15(23)12-16;2*1-3-16-13-27(10-11-28(16)21(30)18-8-5-9-19(25-18)32-2)22(31)20-24-14-29(26-20)17-7-4-6-15(23)12-17;1-2-4-15-11-27(7-8-28(15)20(30)17-10-16(22)18(23)32-17)21(31)19-25-12-29(26-19)14-6-3-5-13(24)9-14;1-2-13-10-26(6-7-27(13)19(29)16-9-15(21)17(22)31-16)20(30)18-24-11-28(25-18)14-5-3-4-12(23)8-14;1-11-9-25(5-6-26(11)18(28)15-8-14(20)16(21)30-15)19(29)17-23-10-27(24-17)13-4-2-3-12(22)7-13/h4-5,7-10,13,15,18H,3,6,11-12,14H2,1-2H3;4-9,12,14H,10-11,13H2,1-3H3;2*4-9,12,14,16H,3,10-11,13H2,1-2H3;3,5-6,9-10,12,15H,2,4,7-8,11H2,1H3;3-5,8-9,11,13H,2,6-7,10H2,1H3;2-4,7-8,10-11H,5-6,9H2,1H3/t18-;;;;15-;;11-/m0...0.0/s1.
What are the key properties of [4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2,2-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-ethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;(4,5-dibromofuran-2-yl)-[2-ethyl-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methanone;(4,5-dibromofuran-2-yl)-[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;(4,5-dibromofuran-2-yl)-[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-propylpiperazin-1-yl]methanone;[2-ethyl-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-propylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone?
[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2,2-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-ethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;(4,5-dibromofuran-2-yl)-[2-ethyl-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methanone;(4,5-dibromofuran-2-yl)-[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;(4,5-dibromofuran-2-yl)-[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-propylpiperazin-1-yl]methanone;[2-ethyl-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-propylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone has a molecular weight of 3466.39 g/mol, XLogP of 21.87, 32 rotatable bonds, 0 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2,2-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-ethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;(4,5-dibromofuran-2-yl)-[2-ethyl-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methanone;(4,5-dibromofuran-2-yl)-[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;(4,5-dibromofuran-2-yl)-[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-propylpiperazin-1-yl]methanone;[2-ethyl-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-propylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone is sourced from PubChem (CID 159269024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).