N-[4-[5-(1-bicyclo[1.1.1]pentanylsulfamoyl)-6-chloro-3-pyridinyl]-2-pyridinyl]acetamide;2-chloro-5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-4-methylpyridine-3-carboxylic acid;2-[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]-1-(3,3-difluoroazetidin-1-yl)ethanone;N-[4-[5-(diethylsulfamoyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-ethyl-2-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]acetamide

C96H99Cl2F2N25O10S2 — CID 158223443

IUPACN-[4-[5-(1-bicyclo[1.1.1]pentanylsulfamoyl)-6-chloro-3-pyridinyl]-2-pyridinyl]acetamide;2-chloro-5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-4-methylpyridine-3-carboxylic acid;2-[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]-1-(3,3-difluoroazetidin-1-yl)ethanone;N-[4-[5-(diethylsulfamoyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-ethyl-2-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(Cl)c(S(=O)(=O)NC34CC(C3)C4)c2)ccn1.CCN(CC)S(=O)(=O)c1cc(-c2ccnc(NC(C)=O)c2)cnc1C.CCNC(=O)Cc1cc(-c2ccnc(Nc3ccnc(C)n3)c2)cnc1C.Cc1c(-c2ccnc(Nc3ccnc(C4CC4)n3)c2)cnc(Cl)c1C(=O)O.Cc1ncc(-c2ccnc(Nc3ccnc(C4CC4)n3)c2)cc1CC(=O)N1CC(F)(F)C1
InChIInChI=1S/C23H22F2N6O.C20H22N6O.C19H16ClN5O2.C17H17ClN4O3S.C17H22N4O3S/c1-14-17(10-21(32)31-12-23(24,25)13-31)8-18(11-28-14)16-4-6-26-20(9-16)29-19-5-7-27-22(30-19)15-2-3-15;1-4-21-20(27)11-16-9-17(12-24-13(16)2)15-5-7-23-19(10-15)26-18-6-8-22-14(3)25-18;1-10-13(9-23-17(20)16(10)19(26)27)12-4-6-21-15(8-12)24-14-5-7-22-18(25-14)11-2-3-11;1-10(23)21-15-5-12(2-3-19-15)13-4-14(16(18)20-9-13)26(24,25)22-17-6-11(7-17)8-17;1-5-21(6-2)25(23,24)16-9-15(11-19-12(16)3)14-7-8-18-17(10-14)20-13(4)22/h4-9,11,15H,2-3,10,12-13H2,1H3,(H,26,27,29,30);5-10,12H,4,11H2,1-3H3,(H,21,27)(H,22,23,25,26);4-9,11H,2-3H2,1H3,(H,26,27)(H,21,22,24,25);2-5,9,11,22H,6-8H2,1H3,(H,19,21,23);7-11H,5-6H2,1-4H3,(H,18,20,22)
InChIKeyGDNCNCBYBYIQSE-UHFFFAOYSA-N
MW1936.05 g/mol
LogP16.10
Rot. Bonds28

About N-[4-[5-(1-bicyclo[1.1.1]pentanylsulfamoyl)-6-chloro-3-pyridinyl]-2-pyridinyl]acetamide;2-chloro-5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-4-methylpyridine-3-carboxylic acid;2-[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]-1-(3,3-difluoroazetidin-1-yl)ethanone;N-[4-[5-(diethylsulfamoyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-ethyl-2-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]acetamide

N-[4-[5-(1-bicyclo[1.1.1]pentanylsulfamoyl)-6-chloro-3-pyridinyl]-2-pyridinyl]acetamide;2-chloro-5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-4-methylpyridine-3-carboxylic acid;2-[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]-1-(3,3-difluoroazetidin-1-yl)ethanone;N-[4-[5-(diethylsulfamoyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-ethyl-2-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]acetamide (PubChem CID 158223443) has the molecular formula C96H99Cl2F2N25O10S2 and a molecular weight of 1936.05 g/mol. Its IUPAC name is N-[4-[5-(1-bicyclo[1.1.1]pentanylsulfamoyl)-6-chloro-3-pyridinyl]-2-pyridinyl]acetamide;2-chloro-5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-4-methylpyridine-3-carboxylic acid;2-[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]-1-(3,3-difluoroazetidin-1-yl)ethanone;N-[4-[5-(diethylsulfamoyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-ethyl-2-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-(1-bicyclo[1.1.1]pentanylsulfamoyl)-6-chloro-3-pyridinyl]-2-pyridinyl]acetamide;2-chloro-5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-4-methylpyridine-3-carboxylic acid;2-[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]-1-(3,3-difluoroazetidin-1-yl)ethanone;N-[4-[5-(diethylsulfamoyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-ethyl-2-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]acetamide
PubChem CID158223443
Molecular FormulaC96H99Cl2F2N25O10S2
Molecular Weight1936.05 g/mol
Exact Mass1933.68
IUPAC NameN-[4-[5-(1-bicyclo[1.1.1]pentanylsulfamoyl)-6-chloro-3-pyridinyl]-2-pyridinyl]acetamide;2-chloro-5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-4-methylpyridine-3-carboxylic acid;2-[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]-1-(3,3-difluoroazetidin-1-yl)ethanone;N-[4-[5-(diethylsulfamoyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-ethyl-2-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(Cl)c(S(=O)(=O)NC34CC(C3)C4)c2)ccn1.CCN(CC)S(=O)(=O)c1cc(-c2ccnc(NC(C)=O)c2)cnc1C.CCNC(=O)Cc1cc(-c2ccnc(Nc3ccnc(C)n3)c2)cnc1C.Cc1c(-c2ccnc(Nc3ccnc(C4CC4)n3)c2)cnc(Cl)c1C(=O)O.Cc1ncc(-c2ccnc(Nc3ccnc(C4CC4)n3)c2)cc1CC(=O)N1CC(F)(F)C1
InChIInChI=1S/C23H22F2N6O.C20H22N6O.C19H16ClN5O2.C17H17ClN4O3S.C17H22N4O3S/c1-14-17(10-21(32)31-12-23(24,25)13-31)8-18(11-28-14)16-4-6-26-20(9-16)29-19-5-7-27-22(30-19)15-2-3-15;1-4-21-20(27)11-16-9-17(12-24-13(16)2)15-5-7-23-19(10-15)26-18-6-8-22-14(3)25-18;1-10-13(9-23-17(20)16(10)19(26)27)12-4-6-21-15(8-12)24-14-5-7-22-18(25-14)11-2-3-11;1-10(23)21-15-5-12(2-3-19-15)13-4-14(16(18)20-9-13)26(24,25)22-17-6-11(7-17)8-17;1-5-21(6-2)25(23,24)16-9-15(11-19-12(16)3)14-7-8-18-17(10-14)20-13(4)22/h4-9,11,15H,2-3,10,12-13H2,1H3,(H,26,27,29,30);5-10,12H,4,11H2,1-3H3,(H,21,27)(H,22,23,25,26);4-9,11H,2-3H2,1H3,(H,26,27)(H,21,22,24,25);2-5,9,11,22H,6-8H2,1H3,(H,19,21,23);7-11H,5-6H2,1-4H3,(H,18,20,22)
InChIKeyGDNCNCBYBYIQSE-UHFFFAOYSA-N
XLogP16.10
TPSA470.79 Ų
H-Bond Donors8
H-Bond Acceptors28
Rotatable Bonds28
Heavy Atoms137
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001936.05
LogP ≤ 516.10
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[4-[5-(1-bicyclo[1.1.1]pentanylsulfamoyl)-6-chloro-3-pyridinyl]-2-pyridinyl]acetamide;2-chloro-5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-4-methylpyridine-3-carboxylic acid;2-[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]-1-(3,3-difluoroazetidin-1-yl)ethanone;N-[4-[5-(diethylsulfamoyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-ethyl-2-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-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

6-tert-butyl-2-chloro-N-[[6-[[3-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]-1-pyrimidin-5-ylpropyl]amino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide;6-tert-butyl-2-chloropyridine-3-carboxylic acid;6-[[3-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]-1-pyrimidin-5-ylpropyl]amino]pyridine-2-sulfonamide
CID 167576569
Azetidine;azetidin-1-yl-[2-chloro-5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-4-methyl-3-pyridinyl]methanone;2-chloro-5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-4-methylpyridine-3-carboxylic acid
CID 160036737

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(1-bicyclo[1.1.1]pentanylsulfamoyl)-6-chloro-3-pyridinyl]-2-pyridinyl]acetamide;2-chloro-5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-4-methylpyridine-3-carboxylic acid;2-[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]-1-(3,3-difluoroazetidin-1-yl)ethanone;N-[4-[5-(diethylsulfamoyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-ethyl-2-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]acetamide?
The IUPAC name of N-[4-[5-(1-bicyclo[1.1.1]pentanylsulfamoyl)-6-chloro-3-pyridinyl]-2-pyridinyl]acetamide;2-chloro-5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-4-methylpyridine-3-carboxylic acid;2-[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]-1-(3,3-difluoroazetidin-1-yl)ethanone;N-[4-[5-(diethylsulfamoyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-ethyl-2-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]acetamide (CID 158223443) is N-[4-[5-(1-bicyclo[1.1.1]pentanylsulfamoyl)-6-chloro-3-pyridinyl]-2-pyridinyl]acetamide;2-chloro-5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-4-methylpyridine-3-carboxylic acid;2-[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]-1-(3,3-difluoroazetidin-1-yl)ethanone;N-[4-[5-(diethylsulfamoyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-ethyl-2-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[5-(1-bicyclo[1.1.1]pentanylsulfamoyl)-6-chloro-3-pyridinyl]-2-pyridinyl]acetamide;2-chloro-5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-4-methylpyridine-3-carboxylic acid;2-[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]-1-(3,3-difluoroazetidin-1-yl)ethanone;N-[4-[5-(diethylsulfamoyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-ethyl-2-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]acetamide?
The canonical SMILES for N-[4-[5-(1-bicyclo[1.1.1]pentanylsulfamoyl)-6-chloro-3-pyridinyl]-2-pyridinyl]acetamide;2-chloro-5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-4-methylpyridine-3-carboxylic acid;2-[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]-1-(3,3-difluoroazetidin-1-yl)ethanone;N-[4-[5-(diethylsulfamoyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-ethyl-2-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cnc(Cl)c(S(=O)(=O)NC34CC(C3)C4)c2)ccn1.CCN(CC)S(=O)(=O)c1cc(-c2ccnc(NC(C)=O)c2)cnc1C.CCNC(=O)Cc1cc(-c2ccnc(Nc3ccnc(C)n3)c2)cnc1C.Cc1c(-c2ccnc(Nc3ccnc(C4CC4)n3)c2)cnc(Cl)c1C(=O)O.Cc1ncc(-c2ccnc(Nc3ccnc(C4CC4)n3)c2)cc1CC(=O)N1CC(F)(F)C1.
What is the InChIKey of N-[4-[5-(1-bicyclo[1.1.1]pentanylsulfamoyl)-6-chloro-3-pyridinyl]-2-pyridinyl]acetamide;2-chloro-5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-4-methylpyridine-3-carboxylic acid;2-[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]-1-(3,3-difluoroazetidin-1-yl)ethanone;N-[4-[5-(diethylsulfamoyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-ethyl-2-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]acetamide?
The InChIKey is GDNCNCBYBYIQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N6O.C20H22N6O.C19H16ClN5O2.C17H17ClN4O3S.C17H22N4O3S/c1-14-17(10-21(32)31-12-23(24,25)13-31)8-18(11-28-14)16-4-6-26-20(9-16)29-19-5-7-27-22(30-19)15-2-3-15;1-4-21-20(27)11-16-9-17(12-24-13(16)2)15-5-7-23-19(10-15)26-18-6-8-22-14(3)25-18;1-10-13(9-23-17(20)16(10)19(26)27)12-4-6-21-15(8-12)24-14-5-7-22-18(25-14)11-2-3-11;1-10(23)21-15-5-12(2-3-19-15)13-4-14(16(18)20-9-13)26(24,25)22-17-6-11(7-17)8-17;1-5-21(6-2)25(23,24)16-9-15(11-19-12(16)3)14-7-8-18-17(10-14)20-13(4)22/h4-9,11,15H,2-3,10,12-13H2,1H3,(H,26,27,29,30);5-10,12H,4,11H2,1-3H3,(H,21,27)(H,22,23,25,26);4-9,11H,2-3H2,1H3,(H,26,27)(H,21,22,24,25);2-5,9,11,22H,6-8H2,1H3,(H,19,21,23);7-11H,5-6H2,1-4H3,(H,18,20,22).
What are the key properties of N-[4-[5-(1-bicyclo[1.1.1]pentanylsulfamoyl)-6-chloro-3-pyridinyl]-2-pyridinyl]acetamide;2-chloro-5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-4-methylpyridine-3-carboxylic acid;2-[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]-1-(3,3-difluoroazetidin-1-yl)ethanone;N-[4-[5-(diethylsulfamoyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-ethyl-2-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]acetamide?
N-[4-[5-(1-bicyclo[1.1.1]pentanylsulfamoyl)-6-chloro-3-pyridinyl]-2-pyridinyl]acetamide;2-chloro-5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-4-methylpyridine-3-carboxylic acid;2-[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]-1-(3,3-difluoroazetidin-1-yl)ethanone;N-[4-[5-(diethylsulfamoyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-ethyl-2-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]acetamide has a molecular weight of 1936.05 g/mol, XLogP of 16.10, 28 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(1-bicyclo[1.1.1]pentanylsulfamoyl)-6-chloro-3-pyridinyl]-2-pyridinyl]acetamide;2-chloro-5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-4-methylpyridine-3-carboxylic acid;2-[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]-1-(3,3-difluoroazetidin-1-yl)ethanone;N-[4-[5-(diethylsulfamoyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-ethyl-2-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]acetamide is sourced from PubChem (CID 158223443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).