N-[5-[(3S,5R)-4-acetyl-3,5-dimethylpiperazin-1-yl]-2-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[6-[(3R)-4-acetyl-3-methylpiperazin-1-yl]-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[6-[(3S)-4-acetyl-3-methylpiperazin-1-yl]-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[6-(3-fluorophenyl)-3-pyridinyl]-2-(5-methyl-6-pyridin-4-yl-3-pyridinyl)acetamide;2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(6-pyrazin-2-yl-3-pyridinyl)acetamide

C176H187FN40O12 — CID 157353775

IUPACN-[5-[(3S,5R)-4-acetyl-3,5-dimethylpiperazin-1-yl]-2-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[6-[(3R)-4-acetyl-3-methylpiperazin-1-yl]-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[6-[(3S)-4-acetyl-3-methylpiperazin-1-yl]-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[6-(3-fluorophenyl)-3-pyridinyl]-2-(5-methyl-6-pyridin-4-yl-3-pyridinyl)acetamide;2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(6-pyrazin-2-yl-3-pyridinyl)acetamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(C)c4)c(C)c3)cn2)CC1.CC(=O)N1CCN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(C)c4)c(C)c3)cn2)C[C@@H]1C.CC(=O)N1CCN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(C)c4)c(C)c3)cn2)C[C@H]1C.CC(=O)N1CCN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(C)c4)c(C)c3)nc2)CC1.CC(=O)N1[C@H](C)CN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(C)c4)c(C)c3)nc2)C[C@@H]1C.Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)nc3)cc2C)ccn1.Cc1cc(CC(=O)Nc2ccc(-c3cccc(F)c3)nc2)cnc1-c1ccncc1
InChIInChI=1S/C27H32N6O2.2C26H30N6O2.2C25H28N6O2.C24H19FN4O.C23H20N6O/c1-17-10-22(13-30-27(17)23-8-9-28-18(2)11-23)12-26(35)31-25-7-6-24(14-29-25)32-15-19(3)33(21(5)34)20(4)16-32;2*1-17-11-21(14-29-26(17)22-7-8-27-18(2)12-22)13-25(34)30-23-5-6-24(28-15-23)31-9-10-32(20(4)33)19(3)16-31;1-17-12-20(15-28-25(17)21-6-7-26-18(2)13-21)14-24(33)29-23-5-4-22(16-27-23)31-10-8-30(9-11-31)19(3)32;1-17-12-20(15-28-25(17)21-6-7-26-18(2)13-21)14-24(33)29-22-4-5-23(27-16-22)31-10-8-30(9-11-31)19(3)32;1-16-11-17(14-28-24(16)18-7-9-26-10-8-18)12-23(30)29-21-5-6-22(27-15-21)19-3-2-4-20(25)13-19;1-15-9-17(12-28-23(15)18-5-6-25-16(2)10-18)11-22(30)29-19-3-4-20(27-13-19)21-14-24-7-8-26-21/h6-11,13-14,19-20H,12,15-16H2,1-5H3,(H,29,31,35);2*5-8,11-12,14-15,19H,9-10,13,16H2,1-4H3,(H,30,34);4-7,12-13,15-16H,8-11,14H2,1-3H3,(H,27,29,33);4-7,12-13,15-16H,8-11,14H2,1-3H3,(H,29,33);2-11,13-15H,12H2,1H3,(H,29,30);3-10,12-14H,11H2,1-2H3,(H,29,30)/t19-,20+;2*19-;;;;/m.10..../s1
InChIKeyBHVKFZGPJMGIGK-SWKAFENMSA-N
MW3073.70 g/mol
LogP25.21
Rot. Bonds35

About N-[5-[(3S,5R)-4-acetyl-3,5-dimethylpiperazin-1-yl]-2-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[6-[(3R)-4-acetyl-3-methylpiperazin-1-yl]-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[6-[(3S)-4-acetyl-3-methylpiperazin-1-yl]-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[6-(3-fluorophenyl)-3-pyridinyl]-2-(5-methyl-6-pyridin-4-yl-3-pyridinyl)acetamide;2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(6-pyrazin-2-yl-3-pyridinyl)acetamide

N-[5-[(3S,5R)-4-acetyl-3,5-dimethylpiperazin-1-yl]-2-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[6-[(3R)-4-acetyl-3-methylpiperazin-1-yl]-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[6-[(3S)-4-acetyl-3-methylpiperazin-1-yl]-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[6-(3-fluorophenyl)-3-pyridinyl]-2-(5-methyl-6-pyridin-4-yl-3-pyridinyl)acetamide;2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(6-pyrazin-2-yl-3-pyridinyl)acetamide (PubChem CID 157353775) has the molecular formula C176H187FN40O12 and a molecular weight of 3073.70 g/mol. Its IUPAC name is N-[5-[(3S,5R)-4-acetyl-3,5-dimethylpiperazin-1-yl]-2-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[6-[(3R)-4-acetyl-3-methylpiperazin-1-yl]-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[6-[(3S)-4-acetyl-3-methylpiperazin-1-yl]-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[6-(3-fluorophenyl)-3-pyridinyl]-2-(5-methyl-6-pyridin-4-yl-3-pyridinyl)acetamide;2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(6-pyrazin-2-yl-3-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[5-[(3S,5R)-4-acetyl-3,5-dimethylpiperazin-1-yl]-2-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[6-[(3R)-4-acetyl-3-methylpiperazin-1-yl]-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[6-[(3S)-4-acetyl-3-methylpiperazin-1-yl]-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[6-(3-fluorophenyl)-3-pyridinyl]-2-(5-methyl-6-pyridin-4-yl-3-pyridinyl)acetamide;2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(6-pyrazin-2-yl-3-pyridinyl)acetamide
PubChem CID157353775
Molecular FormulaC176H187FN40O12
Molecular Weight3073.70 g/mol
Exact Mass3071.52
IUPAC NameN-[5-[(3S,5R)-4-acetyl-3,5-dimethylpiperazin-1-yl]-2-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[6-[(3R)-4-acetyl-3-methylpiperazin-1-yl]-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[6-[(3S)-4-acetyl-3-methylpiperazin-1-yl]-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[6-(3-fluorophenyl)-3-pyridinyl]-2-(5-methyl-6-pyridin-4-yl-3-pyridinyl)acetamide;2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(6-pyrazin-2-yl-3-pyridinyl)acetamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(C)c4)c(C)c3)cn2)CC1.CC(=O)N1CCN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(C)c4)c(C)c3)cn2)C[C@@H]1C.CC(=O)N1CCN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(C)c4)c(C)c3)cn2)C[C@H]1C.CC(=O)N1CCN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(C)c4)c(C)c3)nc2)CC1.CC(=O)N1[C@H](C)CN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(C)c4)c(C)c3)nc2)C[C@@H]1C.Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)nc3)cc2C)ccn1.Cc1cc(CC(=O)Nc2ccc(-c3cccc(F)c3)nc2)cnc1-c1ccncc1
InChIInChI=1S/C27H32N6O2.2C26H30N6O2.2C25H28N6O2.C24H19FN4O.C23H20N6O/c1-17-10-22(13-30-27(17)23-8-9-28-18(2)11-23)12-26(35)31-25-7-6-24(14-29-25)32-15-19(3)33(21(5)34)20(4)16-32;2*1-17-11-21(14-29-26(17)22-7-8-27-18(2)12-22)13-25(34)30-23-5-6-24(28-15-23)31-9-10-32(20(4)33)19(3)16-31;1-17-12-20(15-28-25(17)21-6-7-26-18(2)13-21)14-24(33)29-23-5-4-22(16-27-23)31-10-8-30(9-11-31)19(3)32;1-17-12-20(15-28-25(17)21-6-7-26-18(2)13-21)14-24(33)29-22-4-5-23(27-16-22)31-10-8-30(9-11-31)19(3)32;1-16-11-17(14-28-24(16)18-7-9-26-10-8-18)12-23(30)29-21-5-6-22(27-15-21)19-3-2-4-20(25)13-19;1-15-9-17(12-28-23(15)18-5-6-25-16(2)10-18)11-22(30)29-19-3-4-20(27-13-19)21-14-24-7-8-26-21/h6-11,13-14,19-20H,12,15-16H2,1-5H3,(H,29,31,35);2*5-8,11-12,14-15,19H,9-10,13,16H2,1-4H3,(H,30,34);4-7,12-13,15-16H,8-11,14H2,1-3H3,(H,27,29,33);4-7,12-13,15-16H,8-11,14H2,1-3H3,(H,29,33);2-11,13-15H,12H2,1H3,(H,29,30);3-10,12-14H,11H2,1-2H3,(H,29,30)/t19-,20+;2*19-;;;;/m.10..../s1
InChIKeyBHVKFZGPJMGIGK-SWKAFENMSA-N
XLogP25.21
TPSA617.92 Ų
H-Bond Donors7
H-Bond Acceptors40
Rotatable Bonds35
Heavy Atoms229
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003073.70
LogP ≤ 525.21
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1040

Analyze N-[5-[(3S,5R)-4-acetyl-3,5-dimethylpiperazin-1-yl]-2-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[6-[(3R)-4-acetyl-3-methylpiperazin-1-yl]-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[6-[(3S)-4-acetyl-3-methylpiperazin-1-yl]-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[6-(3-fluorophenyl)-3-pyridinyl]-2-(5-methyl-6-pyridin-4-yl-3-pyridinyl)acetamide;2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(6-pyrazin-2-yl-3-pyridinyl)acetamide with MolForge

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Launch Full Analysis

Related Compounds

Wnt-974
CID 46926973
Gnf6231
CID 46927297
N-(2-(pyrrolidin-1-yl)ethyl)-1-(3-(2-(tetrahydro-2H-pyran-4-ylamino)pyridin-4-yl)-2,6-naphthyridin-1-yl)piperidine-4-carboxamide
CID 46901056
US10251893, Cpd 51
CID 46926891
N-[2,3'-Bipyridin]-6'-yl-2',3-dimethyl[2,4'-bipyridine]-5-acetamide
CID 46927131
US10251893, Cpd 126
CID 46927132
US10251893, Cpd 128
CID 46927133
N-(5-(4-Acetylpiperazin-1-yl)pyridin-2-yl)-2-(2',3-dimethyl-[2,4'-bipyridin]-5-yl)acetamide
CID 46927217
2'-Fluoro-3-methyl-N-[5-(2-pyrazinyl)-2-pyridinyl][2,4'-bipyridine]-5-acetamide
CID 46927364
US10251893, Cpd 166
CID 58447954
2-[5-methyl-6-(6-methyl-3-pyridinyl)-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 121237481
3-[4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)propanamide
CID 122192867

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3S,5R)-4-acetyl-3,5-dimethylpiperazin-1-yl]-2-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[6-[(3R)-4-acetyl-3-methylpiperazin-1-yl]-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[6-[(3S)-4-acetyl-3-methylpiperazin-1-yl]-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[6-(3-fluorophenyl)-3-pyridinyl]-2-(5-methyl-6-pyridin-4-yl-3-pyridinyl)acetamide;2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(6-pyrazin-2-yl-3-pyridinyl)acetamide?
The IUPAC name of N-[5-[(3S,5R)-4-acetyl-3,5-dimethylpiperazin-1-yl]-2-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[6-[(3R)-4-acetyl-3-methylpiperazin-1-yl]-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[6-[(3S)-4-acetyl-3-methylpiperazin-1-yl]-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[6-(3-fluorophenyl)-3-pyridinyl]-2-(5-methyl-6-pyridin-4-yl-3-pyridinyl)acetamide;2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(6-pyrazin-2-yl-3-pyridinyl)acetamide (CID 157353775) is N-[5-[(3S,5R)-4-acetyl-3,5-dimethylpiperazin-1-yl]-2-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[6-[(3R)-4-acetyl-3-methylpiperazin-1-yl]-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[6-[(3S)-4-acetyl-3-methylpiperazin-1-yl]-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[6-(3-fluorophenyl)-3-pyridinyl]-2-(5-methyl-6-pyridin-4-yl-3-pyridinyl)acetamide;2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(6-pyrazin-2-yl-3-pyridinyl)acetamide.
What is the SMILES notation for N-[5-[(3S,5R)-4-acetyl-3,5-dimethylpiperazin-1-yl]-2-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[6-[(3R)-4-acetyl-3-methylpiperazin-1-yl]-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[6-[(3S)-4-acetyl-3-methylpiperazin-1-yl]-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[6-(3-fluorophenyl)-3-pyridinyl]-2-(5-methyl-6-pyridin-4-yl-3-pyridinyl)acetamide;2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(6-pyrazin-2-yl-3-pyridinyl)acetamide?
The canonical SMILES for N-[5-[(3S,5R)-4-acetyl-3,5-dimethylpiperazin-1-yl]-2-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[6-[(3R)-4-acetyl-3-methylpiperazin-1-yl]-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[6-[(3S)-4-acetyl-3-methylpiperazin-1-yl]-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[6-(3-fluorophenyl)-3-pyridinyl]-2-(5-methyl-6-pyridin-4-yl-3-pyridinyl)acetamide;2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(6-pyrazin-2-yl-3-pyridinyl)acetamide is CC(=O)N1CCN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(C)c4)c(C)c3)cn2)CC1.CC(=O)N1CCN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(C)c4)c(C)c3)cn2)C[C@@H]1C.CC(=O)N1CCN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(C)c4)c(C)c3)cn2)C[C@H]1C.CC(=O)N1CCN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(C)c4)c(C)c3)nc2)CC1.CC(=O)N1[C@H](C)CN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(C)c4)c(C)c3)nc2)C[C@@H]1C.Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)nc3)cc2C)ccn1.Cc1cc(CC(=O)Nc2ccc(-c3cccc(F)c3)nc2)cnc1-c1ccncc1.
What is the InChIKey of N-[5-[(3S,5R)-4-acetyl-3,5-dimethylpiperazin-1-yl]-2-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[6-[(3R)-4-acetyl-3-methylpiperazin-1-yl]-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[6-[(3S)-4-acetyl-3-methylpiperazin-1-yl]-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[6-(3-fluorophenyl)-3-pyridinyl]-2-(5-methyl-6-pyridin-4-yl-3-pyridinyl)acetamide;2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(6-pyrazin-2-yl-3-pyridinyl)acetamide?
The InChIKey is BHVKFZGPJMGIGK-SWKAFENMSA-N. The full InChI is InChI=1S/C27H32N6O2.2C26H30N6O2.2C25H28N6O2.C24H19FN4O.C23H20N6O/c1-17-10-22(13-30-27(17)23-8-9-28-18(2)11-23)12-26(35)31-25-7-6-24(14-29-25)32-15-19(3)33(21(5)34)20(4)16-32;2*1-17-11-21(14-29-26(17)22-7-8-27-18(2)12-22)13-25(34)30-23-5-6-24(28-15-23)31-9-10-32(20(4)33)19(3)16-31;1-17-12-20(15-28-25(17)21-6-7-26-18(2)13-21)14-24(33)29-23-5-4-22(16-27-23)31-10-8-30(9-11-31)19(3)32;1-17-12-20(15-28-25(17)21-6-7-26-18(2)13-21)14-24(33)29-22-4-5-23(27-16-22)31-10-8-30(9-11-31)19(3)32;1-16-11-17(14-28-24(16)18-7-9-26-10-8-18)12-23(30)29-21-5-6-22(27-15-21)19-3-2-4-20(25)13-19;1-15-9-17(12-28-23(15)18-5-6-25-16(2)10-18)11-22(30)29-19-3-4-20(27-13-19)21-14-24-7-8-26-21/h6-11,13-14,19-20H,12,15-16H2,1-5H3,(H,29,31,35);2*5-8,11-12,14-15,19H,9-10,13,16H2,1-4H3,(H,30,34);4-7,12-13,15-16H,8-11,14H2,1-3H3,(H,27,29,33);4-7,12-13,15-16H,8-11,14H2,1-3H3,(H,29,33);2-11,13-15H,12H2,1H3,(H,29,30);3-10,12-14H,11H2,1-2H3,(H,29,30)/t19-,20+;2*19-;;;;/m.10..../s1.
What are the key properties of N-[5-[(3S,5R)-4-acetyl-3,5-dimethylpiperazin-1-yl]-2-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[6-[(3R)-4-acetyl-3-methylpiperazin-1-yl]-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[6-[(3S)-4-acetyl-3-methylpiperazin-1-yl]-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[6-(3-fluorophenyl)-3-pyridinyl]-2-(5-methyl-6-pyridin-4-yl-3-pyridinyl)acetamide;2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(6-pyrazin-2-yl-3-pyridinyl)acetamide?
N-[5-[(3S,5R)-4-acetyl-3,5-dimethylpiperazin-1-yl]-2-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[6-[(3R)-4-acetyl-3-methylpiperazin-1-yl]-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[6-[(3S)-4-acetyl-3-methylpiperazin-1-yl]-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[6-(3-fluorophenyl)-3-pyridinyl]-2-(5-methyl-6-pyridin-4-yl-3-pyridinyl)acetamide;2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(6-pyrazin-2-yl-3-pyridinyl)acetamide has a molecular weight of 3073.70 g/mol, XLogP of 25.21, 35 rotatable bonds, 7 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3S,5R)-4-acetyl-3,5-dimethylpiperazin-1-yl]-2-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[6-[(3R)-4-acetyl-3-methylpiperazin-1-yl]-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[6-[(3S)-4-acetyl-3-methylpiperazin-1-yl]-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide;N-[6-(3-fluorophenyl)-3-pyridinyl]-2-(5-methyl-6-pyridin-4-yl-3-pyridinyl)acetamide;2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(6-pyrazin-2-yl-3-pyridinyl)acetamide is sourced from PubChem (CID 157353775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).