N-[5-[(3R)-4-acetyl-3-methylpiperazin-1-yl]-2-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-cyano-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-[5-(4-propanoylpiperazin-1-yl)-2-pyridinyl]acetamide

C174H186ClF4N43O14 — CID 159584999

IUPACN-[5-[(3R)-4-acetyl-3-methylpiperazin-1-yl]-2-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-cyano-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-[5-(4-propanoylpiperazin-1-yl)-2-pyridinyl]acetamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)Cc3ccc(-c4ccnc(C)c4)nc3)nc2)CC1.CC(=O)N1CCN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(C)c4)c(C#N)c3)nc2)CC1.CC(=O)N1CCN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(C)c4)c(C(F)(F)F)c3)nc2)CC1.CC(=O)N1CCN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(C)c4)c(C)c3)nc2)C[C@H]1C.CC(=O)N1CCN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(C)c4)c(Cl)c3)nc2)CC1.CC(=O)N1CCN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(C)c4)c(F)c3)nc2)CC1.CCC(=O)N1CCN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(C)c4)c(C)c3)nc2)CC1
InChIInChI=1S/2C26H30N6O2.C25H25F3N6O2.C25H25N7O2.C24H25ClN6O2.C24H25FN6O2.C24H26N6O2/c1-17-11-21(14-29-26(17)22-7-8-27-18(2)12-22)13-25(34)30-24-6-5-23(15-28-24)31-9-10-32(20(4)33)19(3)16-31;1-4-25(34)32-11-9-31(10-12-32)22-5-6-23(28-17-22)30-24(33)15-20-13-18(2)26(29-16-20)21-7-8-27-19(3)14-21;1-16-11-19(5-6-29-16)24-21(25(26,27)28)12-18(14-31-24)13-23(36)32-22-4-3-20(15-30-22)34-9-7-33(8-10-34)17(2)35;1-17-11-20(5-6-27-17)25-21(14-26)12-19(15-29-25)13-24(34)30-23-4-3-22(16-28-23)32-9-7-31(8-10-32)18(2)33;2*1-16-11-19(5-6-26-16)24-21(25)12-18(14-28-24)13-23(33)29-22-4-3-20(15-27-22)31-9-7-30(8-10-31)17(2)32;1-17-13-20(7-8-25-17)22-5-3-19(15-26-22)14-24(32)28-23-6-4-21(16-27-23)30-11-9-29(10-12-30)18(2)31/h5-8,11-12,14-15,19H,9-10,13,16H2,1-4H3,(H,28,30,34);5-8,13-14,16-17H,4,9-12,15H2,1-3H3,(H,28,30,33);3-6,11-12,14-15H,7-10,13H2,1-2H3,(H,30,32,36);3-6,11-12,15-16H,7-10,13H2,1-2H3,(H,28,30,34);2*3-6,11-12,14-15H,7-10,13H2,1-2H3,(H,27,29,33);3-8,13,15-16H,9-12,14H2,1-2H3,(H,27,28,32)/t19-;;;;;;/m1....../s1
InChIKeyMJMQREGTRNDNEN-JHBGECILSA-N
MW3215.13 g/mol
LogP21.96
Rot. Bonds36

About N-[5-[(3R)-4-acetyl-3-methylpiperazin-1-yl]-2-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-cyano-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-[5-(4-propanoylpiperazin-1-yl)-2-pyridinyl]acetamide

N-[5-[(3R)-4-acetyl-3-methylpiperazin-1-yl]-2-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-cyano-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-[5-(4-propanoylpiperazin-1-yl)-2-pyridinyl]acetamide (PubChem CID 159584999) has the molecular formula C174H186ClF4N43O14 and a molecular weight of 3215.13 g/mol. Its IUPAC name is N-[5-[(3R)-4-acetyl-3-methylpiperazin-1-yl]-2-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-cyano-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-[5-(4-propanoylpiperazin-1-yl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[(3R)-4-acetyl-3-methylpiperazin-1-yl]-2-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-cyano-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-[5-(4-propanoylpiperazin-1-yl)-2-pyridinyl]acetamide
PubChem CID159584999
Molecular FormulaC174H186ClF4N43O14
Molecular Weight3215.13 g/mol
Exact Mass3212.48
IUPAC NameN-[5-[(3R)-4-acetyl-3-methylpiperazin-1-yl]-2-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-cyano-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-[5-(4-propanoylpiperazin-1-yl)-2-pyridinyl]acetamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)Cc3ccc(-c4ccnc(C)c4)nc3)nc2)CC1.CC(=O)N1CCN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(C)c4)c(C#N)c3)nc2)CC1.CC(=O)N1CCN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(C)c4)c(C(F)(F)F)c3)nc2)CC1.CC(=O)N1CCN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(C)c4)c(C)c3)nc2)C[C@H]1C.CC(=O)N1CCN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(C)c4)c(Cl)c3)nc2)CC1.CC(=O)N1CCN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(C)c4)c(F)c3)nc2)CC1.CCC(=O)N1CCN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(C)c4)c(C)c3)nc2)CC1
InChIInChI=1S/2C26H30N6O2.C25H25F3N6O2.C25H25N7O2.C24H25ClN6O2.C24H25FN6O2.C24H26N6O2/c1-17-11-21(14-29-26(17)22-7-8-27-18(2)12-22)13-25(34)30-24-6-5-23(15-28-24)31-9-10-32(20(4)33)19(3)16-31;1-4-25(34)32-11-9-31(10-12-32)22-5-6-23(28-17-22)30-24(33)15-20-13-18(2)26(29-16-20)21-7-8-27-19(3)14-21;1-16-11-19(5-6-29-16)24-21(25(26,27)28)12-18(14-31-24)13-23(36)32-22-4-3-20(15-30-22)34-9-7-33(8-10-34)17(2)35;1-17-11-20(5-6-27-17)25-21(14-26)12-19(15-29-25)13-24(34)30-23-4-3-22(16-28-23)32-9-7-31(8-10-32)18(2)33;2*1-16-11-19(5-6-26-16)24-21(25)12-18(14-28-24)13-23(33)29-22-4-3-20(15-27-22)31-9-7-30(8-10-31)17(2)32;1-17-13-20(7-8-25-17)22-5-3-19(15-26-22)14-24(32)28-23-6-4-21(16-27-23)30-11-9-29(10-12-30)18(2)31/h5-8,11-12,14-15,19H,9-10,13,16H2,1-4H3,(H,28,30,34);5-8,13-14,16-17H,4,9-12,15H2,1-3H3,(H,28,30,33);3-6,11-12,14-15H,7-10,13H2,1-2H3,(H,30,32,36);3-6,11-12,15-16H,7-10,13H2,1-2H3,(H,28,30,34);2*3-6,11-12,14-15H,7-10,13H2,1-2H3,(H,27,29,33);3-8,13,15-16H,9-12,14H2,1-2H3,(H,27,28,32)/t19-;;;;;;/m1....../s1
InChIKeyMJMQREGTRNDNEN-JHBGECILSA-N
XLogP21.96
TPSA663.03 Ų
H-Bond Donors7
H-Bond Acceptors43
Rotatable Bonds36
Heavy Atoms236
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003215.13
LogP ≤ 521.96
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1043

Analyze N-[5-[(3R)-4-acetyl-3-methylpiperazin-1-yl]-2-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-cyano-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-[5-(4-propanoylpiperazin-1-yl)-2-pyridinyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Gnf6231
CID 46927297
US10251893, Cpd 189
CID 46927295
US10251893, Cpd 190
CID 46927296
US10251893, Cpd 194
CID 46927363
US10251893, Cpd 209
CID 46927366
2-(4-Chlorophenyl)-1-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]ethanone
CID 119098998
2-(2-Chlorophenyl)-1-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]ethanone
CID 119099020
2-(3-Chlorophenyl)-1-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]ethanone
CID 119099032
N-[2-[6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-1-(4-methyl-2-propan-2-ylpyridin-3-yl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenyl]-2,2-difluoroacetamide
CID 153292548
2-[4-[7-(2-Amino-6-fluorophenyl)-6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile
CID 153292925
N-[2-[6-chloro-1-[4-(dimethylamino)-2-propan-2-ylpyridin-3-yl]-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-2-oxopyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenyl]-2,2,2-trifluoroacetamide
CID 153292987
(M)-N-[2-[6-Chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoyl-piperazin-1-yl]-1-(2-isopropyl-4-methyl-3-pyridyl)-2-oxo-pyrido[2,3-d]pyrimidin-7-yl]-3-fluoro-phenyl]-2,2,2-trifluoro-acetamide
CID 164515231

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3R)-4-acetyl-3-methylpiperazin-1-yl]-2-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-cyano-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-[5-(4-propanoylpiperazin-1-yl)-2-pyridinyl]acetamide?
The IUPAC name of N-[5-[(3R)-4-acetyl-3-methylpiperazin-1-yl]-2-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-cyano-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-[5-(4-propanoylpiperazin-1-yl)-2-pyridinyl]acetamide (CID 159584999) is N-[5-[(3R)-4-acetyl-3-methylpiperazin-1-yl]-2-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-cyano-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-[5-(4-propanoylpiperazin-1-yl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[(3R)-4-acetyl-3-methylpiperazin-1-yl]-2-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-cyano-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-[5-(4-propanoylpiperazin-1-yl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-[(3R)-4-acetyl-3-methylpiperazin-1-yl]-2-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-cyano-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-[5-(4-propanoylpiperazin-1-yl)-2-pyridinyl]acetamide is CC(=O)N1CCN(c2ccc(NC(=O)Cc3ccc(-c4ccnc(C)c4)nc3)nc2)CC1.CC(=O)N1CCN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(C)c4)c(C#N)c3)nc2)CC1.CC(=O)N1CCN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(C)c4)c(C(F)(F)F)c3)nc2)CC1.CC(=O)N1CCN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(C)c4)c(C)c3)nc2)C[C@H]1C.CC(=O)N1CCN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(C)c4)c(Cl)c3)nc2)CC1.CC(=O)N1CCN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(C)c4)c(F)c3)nc2)CC1.CCC(=O)N1CCN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(C)c4)c(C)c3)nc2)CC1.
What is the InChIKey of N-[5-[(3R)-4-acetyl-3-methylpiperazin-1-yl]-2-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-cyano-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-[5-(4-propanoylpiperazin-1-yl)-2-pyridinyl]acetamide?
The InChIKey is MJMQREGTRNDNEN-JHBGECILSA-N. The full InChI is InChI=1S/2C26H30N6O2.C25H25F3N6O2.C25H25N7O2.C24H25ClN6O2.C24H25FN6O2.C24H26N6O2/c1-17-11-21(14-29-26(17)22-7-8-27-18(2)12-22)13-25(34)30-24-6-5-23(15-28-24)31-9-10-32(20(4)33)19(3)16-31;1-4-25(34)32-11-9-31(10-12-32)22-5-6-23(28-17-22)30-24(33)15-20-13-18(2)26(29-16-20)21-7-8-27-19(3)14-21;1-16-11-19(5-6-29-16)24-21(25(26,27)28)12-18(14-31-24)13-23(36)32-22-4-3-20(15-30-22)34-9-7-33(8-10-34)17(2)35;1-17-11-20(5-6-27-17)25-21(14-26)12-19(15-29-25)13-24(34)30-23-4-3-22(16-28-23)32-9-7-31(8-10-32)18(2)33;2*1-16-11-19(5-6-26-16)24-21(25)12-18(14-28-24)13-23(33)29-22-4-3-20(15-27-22)31-9-7-30(8-10-31)17(2)32;1-17-13-20(7-8-25-17)22-5-3-19(15-26-22)14-24(32)28-23-6-4-21(16-27-23)30-11-9-29(10-12-30)18(2)31/h5-8,11-12,14-15,19H,9-10,13,16H2,1-4H3,(H,28,30,34);5-8,13-14,16-17H,4,9-12,15H2,1-3H3,(H,28,30,33);3-6,11-12,14-15H,7-10,13H2,1-2H3,(H,30,32,36);3-6,11-12,15-16H,7-10,13H2,1-2H3,(H,28,30,34);2*3-6,11-12,14-15H,7-10,13H2,1-2H3,(H,27,29,33);3-8,13,15-16H,9-12,14H2,1-2H3,(H,27,28,32)/t19-;;;;;;/m1....../s1.
What are the key properties of N-[5-[(3R)-4-acetyl-3-methylpiperazin-1-yl]-2-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-cyano-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-[5-(4-propanoylpiperazin-1-yl)-2-pyridinyl]acetamide?
N-[5-[(3R)-4-acetyl-3-methylpiperazin-1-yl]-2-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-cyano-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-[5-(4-propanoylpiperazin-1-yl)-2-pyridinyl]acetamide has a molecular weight of 3215.13 g/mol, XLogP of 21.96, 36 rotatable bonds, 7 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3R)-4-acetyl-3-methylpiperazin-1-yl]-2-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-cyano-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-[5-(4-propanoylpiperazin-1-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 159584999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).