N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(3-fluoro-2-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-5-methylsulfonyl-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[2-(2-methyl-4-pyridinyl)pyrimidin-5-yl]acetamide;propan-2-yl 4-[6-[[2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetyl]amino]-3-pyridinyl]piperazine-1-carboxylate

C99H109FN24O11S — CID 158068525

IUPACN-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(3-fluoro-2-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-5-methylsulfonyl-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[2-(2-methyl-4-pyridinyl)pyrimidin-5-yl]acetamide;propan-2-yl 4-[6-[[2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetyl]amino]-3-pyridinyl]piperazine-1-carboxylate
SMILESCC(=O)N1CCN(c2ccc(NC(=O)Cc3ccc(-c4ncccc4F)cc3)nc2)CC1.CC(=O)N1CCN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(C)c4)c(S(C)(=O)=O)c3)nc2)CC1.CC(=O)N1CCN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(C)c4)nc3)nc2)CC1.Cc1cc(-c2ncc(CC(=O)Nc3ccc(N4CCN(C(=O)OC(C)C)CC4)cn3)cc2C)ccn1
InChIInChI=1S/C27H32N6O3.C25H28N6O4S.C24H24FN5O2.C23H25N7O2/c1-18(2)36-27(35)33-11-9-32(10-12-33)23-5-6-24(29-17-23)31-25(34)15-21-13-19(3)26(30-16-21)22-7-8-28-20(4)14-22;1-17-12-20(6-7-26-17)25-22(36(3,34)35)13-19(15-28-25)14-24(33)29-23-5-4-21(16-27-23)31-10-8-30(9-11-31)18(2)32;1-17(31)29-11-13-30(14-12-29)20-8-9-22(27-16-20)28-23(32)15-18-4-6-19(7-5-18)24-21(25)3-2-10-26-24;1-16-11-19(5-6-24-16)23-26-13-18(14-27-23)12-22(32)28-21-4-3-20(15-25-21)30-9-7-29(8-10-30)17(2)31/h5-8,13-14,16-18H,9-12,15H2,1-4H3,(H,29,31,34);4-7,12-13,15-16H,8-11,14H2,1-3H3,(H,27,29,33);2-10,16H,11-15H2,1H3,(H,27,28,32);3-6,11,13-15H,7-10,12H2,1-2H3,(H,25,28,32)
InChIKeyFLNLASQITGMJCI-UHFFFAOYSA-N
MW1862.18 g/mol
LogP11.33
Rot. Bonds22

About N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(3-fluoro-2-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-5-methylsulfonyl-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[2-(2-methyl-4-pyridinyl)pyrimidin-5-yl]acetamide;propan-2-yl 4-[6-[[2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetyl]amino]-3-pyridinyl]piperazine-1-carboxylate

N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(3-fluoro-2-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-5-methylsulfonyl-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[2-(2-methyl-4-pyridinyl)pyrimidin-5-yl]acetamide;propan-2-yl 4-[6-[[2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetyl]amino]-3-pyridinyl]piperazine-1-carboxylate (PubChem CID 158068525) has the molecular formula C99H109FN24O11S and a molecular weight of 1862.18 g/mol. Its IUPAC name is N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(3-fluoro-2-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-5-methylsulfonyl-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[2-(2-methyl-4-pyridinyl)pyrimidin-5-yl]acetamide;propan-2-yl 4-[6-[[2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetyl]amino]-3-pyridinyl]piperazine-1-carboxylate.

Molecular Properties

Compound NameN-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(3-fluoro-2-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-5-methylsulfonyl-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[2-(2-methyl-4-pyridinyl)pyrimidin-5-yl]acetamide;propan-2-yl 4-[6-[[2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetyl]amino]-3-pyridinyl]piperazine-1-carboxylate
PubChem CID158068525
Molecular FormulaC99H109FN24O11S
Molecular Weight1862.18 g/mol
Exact Mass1860.84
IUPAC NameN-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(3-fluoro-2-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-5-methylsulfonyl-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[2-(2-methyl-4-pyridinyl)pyrimidin-5-yl]acetamide;propan-2-yl 4-[6-[[2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetyl]amino]-3-pyridinyl]piperazine-1-carboxylate
SMILESCC(=O)N1CCN(c2ccc(NC(=O)Cc3ccc(-c4ncccc4F)cc3)nc2)CC1.CC(=O)N1CCN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(C)c4)c(S(C)(=O)=O)c3)nc2)CC1.CC(=O)N1CCN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(C)c4)nc3)nc2)CC1.Cc1cc(-c2ncc(CC(=O)Nc3ccc(N4CCN(C(=O)OC(C)C)CC4)cn3)cc2C)ccn1
InChIInChI=1S/C27H32N6O3.C25H28N6O4S.C24H24FN5O2.C23H25N7O2/c1-18(2)36-27(35)33-11-9-32(10-12-33)23-5-6-24(29-17-23)31-25(34)15-21-13-19(3)26(30-16-21)22-7-8-28-20(4)14-22;1-17-12-20(6-7-26-17)25-22(36(3,34)35)13-19(15-28-25)14-24(33)29-23-5-4-21(16-27-23)31-10-8-30(9-11-31)18(2)32;1-17(31)29-11-13-30(14-12-29)20-8-9-22(27-16-20)28-23(32)15-18-4-6-19(7-5-18)24-21(25)3-2-10-26-24;1-16-11-19(5-6-24-16)23-26-13-18(14-27-23)12-22(32)28-21-4-3-20(15-25-21)30-9-7-29(8-10-30)17(2)31/h5-8,13-14,16-18H,9-12,15H2,1-4H3,(H,29,31,34);4-7,12-13,15-16H,8-11,14H2,1-3H3,(H,27,29,33);2-10,16H,11-15H2,1H3,(H,27,28,32);3-6,11,13-15H,7-10,12H2,1-2H3,(H,25,28,32)
InChIKeyFLNLASQITGMJCI-UHFFFAOYSA-N
XLogP11.33
TPSA408.65 Ų
H-Bond Donors4
H-Bond Acceptors27
Rotatable Bonds22
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001862.18
LogP ≤ 511.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1027

Analyze N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(3-fluoro-2-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-5-methylsulfonyl-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[2-(2-methyl-4-pyridinyl)pyrimidin-5-yl]acetamide;propan-2-yl 4-[6-[[2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetyl]amino]-3-pyridinyl]piperazine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

US10251893, Cpd 197
CID 58447656
2-[3-Fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-(2-morpholin-4-ylethyl)-6-(5-pyridin-4-ylsulfonyl-2-pyridinyl)pyrido[2,3-d]pyrimidin-7-one
CID 89822591
4,4-difluoro-N-[5-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]-N-[4-[[4-(5-methylsulfonyl-3-pyridinyl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]butanamide
CID 139534907
N-[5-(2-methoxypyrimidin-5-yl)-2-pyridinyl]-N-[4-[[4-(5-methylsulfonyl-3-pyridinyl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]butanamide
CID 139534926
N-[5-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]-N-[4-[[4-(5-methylsulfonyl-3-pyridinyl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]butanamide
CID 139534932
(2-hydroxy-2-methylpropyl) N-[5-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]-N-[4-[[4-(5-methylsulfonylpyridin-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]carbamate
CID 153347589
2-(dimethylamino)ethyl N-[5-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]-N-[4-[[4-(5-methylsulfonyl-3-pyridinyl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]carbamate
CID 153347601
2-(dimethylamino)ethyl N-[5-(2-methoxypyrimidin-5-yl)-2-pyridinyl]-N-[4-[[4-(5-methylsulfonyl-3-pyridinyl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]carbamate
CID 153347636
2,2-difluoroethyl N-[5-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]-N-[4-[[4-(5-methylsulfonylpyridin-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]carbamate
CID 153347643
[4-[[4-(5-methylsulfonyl-3-pyridinyl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl] N-[5-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]carbamate
CID 156083439
N-[5-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]-N-[4-[[4-(5-methylsulfonyl-3-pyridinyl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]propanamide
CID 156083494
N-[5-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]-N-[4-[[4-(5-methylsulfonyl-3-pyridinyl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]cyclopropanecarboxamide
CID 156083702

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(3-fluoro-2-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-5-methylsulfonyl-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[2-(2-methyl-4-pyridinyl)pyrimidin-5-yl]acetamide;propan-2-yl 4-[6-[[2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetyl]amino]-3-pyridinyl]piperazine-1-carboxylate?
The IUPAC name of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(3-fluoro-2-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-5-methylsulfonyl-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[2-(2-methyl-4-pyridinyl)pyrimidin-5-yl]acetamide;propan-2-yl 4-[6-[[2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetyl]amino]-3-pyridinyl]piperazine-1-carboxylate (CID 158068525) is N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(3-fluoro-2-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-5-methylsulfonyl-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[2-(2-methyl-4-pyridinyl)pyrimidin-5-yl]acetamide;propan-2-yl 4-[6-[[2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetyl]amino]-3-pyridinyl]piperazine-1-carboxylate.
What is the SMILES notation for N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(3-fluoro-2-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-5-methylsulfonyl-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[2-(2-methyl-4-pyridinyl)pyrimidin-5-yl]acetamide;propan-2-yl 4-[6-[[2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetyl]amino]-3-pyridinyl]piperazine-1-carboxylate?
The canonical SMILES for N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(3-fluoro-2-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-5-methylsulfonyl-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[2-(2-methyl-4-pyridinyl)pyrimidin-5-yl]acetamide;propan-2-yl 4-[6-[[2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetyl]amino]-3-pyridinyl]piperazine-1-carboxylate is CC(=O)N1CCN(c2ccc(NC(=O)Cc3ccc(-c4ncccc4F)cc3)nc2)CC1.CC(=O)N1CCN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(C)c4)c(S(C)(=O)=O)c3)nc2)CC1.CC(=O)N1CCN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(C)c4)nc3)nc2)CC1.Cc1cc(-c2ncc(CC(=O)Nc3ccc(N4CCN(C(=O)OC(C)C)CC4)cn3)cc2C)ccn1.
What is the InChIKey of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(3-fluoro-2-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-5-methylsulfonyl-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[2-(2-methyl-4-pyridinyl)pyrimidin-5-yl]acetamide;propan-2-yl 4-[6-[[2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetyl]amino]-3-pyridinyl]piperazine-1-carboxylate?
The InChIKey is FLNLASQITGMJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O3.C25H28N6O4S.C24H24FN5O2.C23H25N7O2/c1-18(2)36-27(35)33-11-9-32(10-12-33)23-5-6-24(29-17-23)31-25(34)15-21-13-19(3)26(30-16-21)22-7-8-28-20(4)14-22;1-17-12-20(6-7-26-17)25-22(36(3,34)35)13-19(15-28-25)14-24(33)29-23-5-4-21(16-27-23)31-10-8-30(9-11-31)18(2)32;1-17(31)29-11-13-30(14-12-29)20-8-9-22(27-16-20)28-23(32)15-18-4-6-19(7-5-18)24-21(25)3-2-10-26-24;1-16-11-19(5-6-24-16)23-26-13-18(14-27-23)12-22(32)28-21-4-3-20(15-25-21)30-9-7-29(8-10-30)17(2)31/h5-8,13-14,16-18H,9-12,15H2,1-4H3,(H,29,31,34);4-7,12-13,15-16H,8-11,14H2,1-3H3,(H,27,29,33);2-10,16H,11-15H2,1H3,(H,27,28,32);3-6,11,13-15H,7-10,12H2,1-2H3,(H,25,28,32).
What are the key properties of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(3-fluoro-2-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-5-methylsulfonyl-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[2-(2-methyl-4-pyridinyl)pyrimidin-5-yl]acetamide;propan-2-yl 4-[6-[[2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetyl]amino]-3-pyridinyl]piperazine-1-carboxylate?
N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(3-fluoro-2-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-5-methylsulfonyl-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[2-(2-methyl-4-pyridinyl)pyrimidin-5-yl]acetamide;propan-2-yl 4-[6-[[2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetyl]amino]-3-pyridinyl]piperazine-1-carboxylate has a molecular weight of 1862.18 g/mol, XLogP of 11.33, 22 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(3-fluoro-2-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-5-methylsulfonyl-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[2-(2-methyl-4-pyridinyl)pyrimidin-5-yl]acetamide;propan-2-yl 4-[6-[[2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetyl]amino]-3-pyridinyl]piperazine-1-carboxylate is sourced from PubChem (CID 158068525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).