N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2,6-dimethylpyrimidin-4-amine;N-[2-chloro-4-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2-fluoro-4-methylbenzenesulfonamide;bis(2-fluoro-4-methyl-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide);N-[4-[6-methyl-5-(piperidin-1-ylsulfonylmethyl)-3-pyridinyl]-2-pyridinyl]acetamide

C107H106Cl2F4N18O14S5 — CID 157063519

IUPACN-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2,6-dimethylpyrimidin-4-amine;N-[2-chloro-4-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2-fluoro-4-methylbenzenesulfonamide;bis(2-fluoro-4-methyl-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide);N-[4-[6-methyl-5-(piperidin-1-ylsulfonylmethyl)-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Cc1cc(-c2cnc(C)c(NS(=O)(=O)c3ccc(C)cc3F)c2)ccn1.CC(=O)Cc1cc(-c2cnc(C)c(NS(=O)(=O)c3ccc(C)cc3F)c2)ccn1.CC(=O)Cc1cc(-c2cnc(Cl)c(NS(=O)(=O)c3ccc(C)cc3F)c2C)ccn1.CC(=O)Nc1cc(-c2cnc(C)c(CS(=O)(=O)N3CCCCC3)c2)ccn1.Cc1ccc(S(=O)(=O)Cc2c(Cl)ncc(-c3ccnc(Nc4cc(C)nc(C)n4)c3)c2C)c(F)c1
InChIInChI=1S/C25H23ClFN5O2S.C21H19ClFN3O3S.2C21H20FN3O3S.C19H24N4O3S/c1-14-5-6-22(21(27)9-14)35(33,34)13-20-16(3)19(12-29-25(20)26)18-7-8-28-23(11-18)32-24-10-15(2)30-17(4)31-24;1-12-4-5-19(18(23)8-12)30(28,29)26-20-14(3)17(11-25-21(20)22)15-6-7-24-16(10-15)9-13(2)27;2*1-13-4-5-21(19(22)8-13)29(27,28)25-20-11-17(12-24-15(20)3)16-6-7-23-18(10-16)9-14(2)26;1-14-18(13-27(25,26)23-8-4-3-5-9-23)10-17(12-21-14)16-6-7-20-19(11-16)22-15(2)24/h5-12H,13H2,1-4H3,(H,28,30,31,32);4-8,10-11,26H,9H2,1-3H3;2*4-8,10-12,25H,9H2,1-3H3;6-7,10-12H,3-5,8-9,13H2,1-2H3,(H,20,22,24)
InChIKeyABPIAOZUYDDHDA-UHFFFAOYSA-N
MW2175.37 g/mol
LogP20.55
Rot. Bonds29

About N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2,6-dimethylpyrimidin-4-amine;N-[2-chloro-4-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2-fluoro-4-methylbenzenesulfonamide;bis(2-fluoro-4-methyl-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide);N-[4-[6-methyl-5-(piperidin-1-ylsulfonylmethyl)-3-pyridinyl]-2-pyridinyl]acetamide

N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2,6-dimethylpyrimidin-4-amine;N-[2-chloro-4-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2-fluoro-4-methylbenzenesulfonamide;bis(2-fluoro-4-methyl-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide);N-[4-[6-methyl-5-(piperidin-1-ylsulfonylmethyl)-3-pyridinyl]-2-pyridinyl]acetamide (PubChem CID 157063519) has the molecular formula C107H106Cl2F4N18O14S5 and a molecular weight of 2175.37 g/mol. Its IUPAC name is N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2,6-dimethylpyrimidin-4-amine;N-[2-chloro-4-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2-fluoro-4-methylbenzenesulfonamide;bis(2-fluoro-4-methyl-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide);N-[4-[6-methyl-5-(piperidin-1-ylsulfonylmethyl)-3-pyridinyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2,6-dimethylpyrimidin-4-amine;N-[2-chloro-4-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2-fluoro-4-methylbenzenesulfonamide;bis(2-fluoro-4-methyl-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide);N-[4-[6-methyl-5-(piperidin-1-ylsulfonylmethyl)-3-pyridinyl]-2-pyridinyl]acetamide
PubChem CID157063519
Molecular FormulaC107H106Cl2F4N18O14S5
Molecular Weight2175.37 g/mol
Exact Mass2172.61
IUPAC NameN-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2,6-dimethylpyrimidin-4-amine;N-[2-chloro-4-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2-fluoro-4-methylbenzenesulfonamide;bis(2-fluoro-4-methyl-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide);N-[4-[6-methyl-5-(piperidin-1-ylsulfonylmethyl)-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Cc1cc(-c2cnc(C)c(NS(=O)(=O)c3ccc(C)cc3F)c2)ccn1.CC(=O)Cc1cc(-c2cnc(C)c(NS(=O)(=O)c3ccc(C)cc3F)c2)ccn1.CC(=O)Cc1cc(-c2cnc(Cl)c(NS(=O)(=O)c3ccc(C)cc3F)c2C)ccn1.CC(=O)Nc1cc(-c2cnc(C)c(CS(=O)(=O)N3CCCCC3)c2)ccn1.Cc1ccc(S(=O)(=O)Cc2c(Cl)ncc(-c3ccnc(Nc4cc(C)nc(C)n4)c3)c2C)c(F)c1
InChIInChI=1S/C25H23ClFN5O2S.C21H19ClFN3O3S.2C21H20FN3O3S.C19H24N4O3S/c1-14-5-6-22(21(27)9-14)35(33,34)13-20-16(3)19(12-29-25(20)26)18-7-8-28-23(11-18)32-24-10-15(2)30-17(4)31-24;1-12-4-5-19(18(23)8-12)30(28,29)26-20-14(3)17(11-25-21(20)22)15-6-7-24-16(10-15)9-13(2)27;2*1-13-4-5-21(19(22)8-13)29(27,28)25-20-11-17(12-24-15(20)3)16-6-7-23-18(10-16)9-14(2)26;1-14-18(13-27(25,26)23-8-4-3-5-9-23)10-17(12-21-14)16-6-7-20-19(11-16)22-15(2)24/h5-12H,13H2,1-4H3,(H,28,30,31,32);4-8,10-11,26H,9H2,1-3H3;2*4-8,10-12,25H,9H2,1-3H3;6-7,10-12H,3-5,8-9,13H2,1-2H3,(H,20,22,24)
InChIKeyABPIAOZUYDDHDA-UHFFFAOYSA-N
XLogP20.55
TPSA457.05 Ų
H-Bond Donors5
H-Bond Acceptors27
Rotatable Bonds29
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002175.37
LogP ≤ 520.55
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2,6-dimethylpyrimidin-4-amine;N-[2-chloro-4-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2-fluoro-4-methylbenzenesulfonamide;bis(2-fluoro-4-methyl-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide);N-[4-[6-methyl-5-(piperidin-1-ylsulfonylmethyl)-3-pyridinyl]-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

5-(2-acetamido-4-pyridinyl)-2-amino-N-pyridin-3-ylpyridine-3-carboxamide;2-amino-N-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyridine-3-sulfonamide;N-[4-(6-amino-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[3-fluoro-4-[[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]sulfamoyl]phenyl]-2-pyridinyl]acetamide;N-[4-[6-methyl-5-[[4-(trifluoromethyl)phenyl]sulfonylmethyl]-3-pyridinyl]-2-pyridinyl]acetamide
CID 157200652
(E)-4-[2-[3,5-bis(trifluoromethyl)phenyl]pyrimidin-4-yl]-3-(5-chloro-3-pyridinyl)but-3-en-2-one;(E)-4-[2-[3,5-bis(trifluoromethyl)phenyl]pyrimidin-4-yl]-3-(2-chloropyrimidin-5-yl)but-3-en-2-one;(E)-4-[2-[3,5-bis(trifluoromethyl)phenyl]pyrimidin-4-yl]-3-(6-fluoro-2-pyridinyl)but-3-en-2-one;(E)-3-[2-[3,5-bis(trifluoromethyl)phenyl]pyrimidin-4-yl]-2-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide;(E)-4-[2-[3,5-bis(trifluoromethyl)phenyl]pyrimidin-4-yl]-3-pyridin-4-ylbut-3-en-2-one
CID 158279134
azetidin-1-yl-[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]methanone;azetidin-1-yl-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-methoxypyrimidin-4-amine;2-fluoro-4-methyl-N-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;2-fluoro-4-methyl-N-[2-methyl-5-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide
CID 158330789
[2-(5-chlorothiophen-2-yl)-4-(2-cyclopropylpyrimidin-5-yl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;(1,1-dioxothian-4-yl)-[2-(3-fluorophenyl)-4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone;(1,1-dioxothian-4-yl)-[2-(3-fluorophenyl)-4-(6-methyl-3-pyridinyl)piperazin-1-yl]methanone;(1,1-dioxothian-4-yl)-[(2S)-2-(4-fluorophenyl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]methanone
CID 158363177
5-(2-acetamido-4-pyridinyl)-2-amino-N-(diaminomethylidene)pyridine-3-carboxamide;N-tert-butyl-2-chloro-4-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyridine-3-sulfonamide;N-[4-[6-cyano-5-[(2,4-difluorophenyl)sulfonylmethyl]-3-pyridinyl]-2-pyridinyl]acetamide;[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]-(3,3-difluoroazetidin-1-yl)methanone;N-[4-[5-(2,2-difluoroethylsulfonylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 158867818
6-[3-chloro-5-[methylidene-(1-methylpiperidin-4-yl)-lambda4-sulfanyl]-2-pyridinyl]-8-[2-(dimethylamino)ethyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(cyclopropyl-methylidene-oxo-lambda6-sulfanyl)phenyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-(2-methyl-5-propan-2-ylsulfonylphenyl)-7-oxo-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]-8-phenylpyrido[2,3-d]pyrimidin-7-one;molecular hydrogen
CID 159252030
6-(2-Chloro-4-methylsulfonylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropylsulfonylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-(2-methyl-4-methylsulfonylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-methylsulfinylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one
CID 159254654
N-[4-(5-acetyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[6-amino-5-[(2-fluorophenyl)methylsulfonyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[[2-chloro-4-(trifluoromethyl)phenyl]sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;methyl N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate;N-[4-[6-methyl-5-(2-oxopropyl)-3-pyridinyl]-2-pyridinyl]acetamide
CID 159572626
N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-phenylpyrimidin-4-amine;bis(N-[5-[2-[2-(2,2-difluorocyclopropyl)-2-oxoethyl]-4-pyridinyl]-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide);2,4-difluoro-N-[2-methyl-5-[2-(pyrimidin-2-ylmethyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N,N-dimethyl-1-[2-methyl-5-[2-(4-methylimidazo[4,5-c]pyridin-1-yl)-4-pyridinyl]-3-pyridinyl]methanesulfonamide;N,N,2-trimethyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide
CID 160164426
N-[4-[5-(butylsulfonylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-2-pyridinyl]acetamide;N-[6-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]acetamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]-4-methoxy-6-methyl-1,3,5-triazin-2-amine;N-[4-[5-[(4,4-difluoropiperidin-1-yl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 160294164
2-chloro-4-[(dimethylamino)methyl]-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;4-ethylsulfonyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-[(pyrimidin-2-ylamino)methyl]benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(trifluoromethylsulfonyl)benzamide
CID 160600291
4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-3-fluorobenzamide;6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-1,3,5-triazine-2,4-diamine;2-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propylamino]-4-(trifluoromethyl)pyrimidine-5-carboxamide;tert-butyl N-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]carbamate;4-(3-chloro-2-methylphenyl)-6-[3-(4-methylsulfinylanilino)propyl]pyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[3-(4-propan-2-ylsulfonylphenyl)propyl]pyrimidine-2,4-diamine
CID 161373706

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2,6-dimethylpyrimidin-4-amine;N-[2-chloro-4-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2-fluoro-4-methylbenzenesulfonamide;bis(2-fluoro-4-methyl-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide);N-[4-[6-methyl-5-(piperidin-1-ylsulfonylmethyl)-3-pyridinyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2,6-dimethylpyrimidin-4-amine;N-[2-chloro-4-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2-fluoro-4-methylbenzenesulfonamide;bis(2-fluoro-4-methyl-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide);N-[4-[6-methyl-5-(piperidin-1-ylsulfonylmethyl)-3-pyridinyl]-2-pyridinyl]acetamide (CID 157063519) is N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2,6-dimethylpyrimidin-4-amine;N-[2-chloro-4-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2-fluoro-4-methylbenzenesulfonamide;bis(2-fluoro-4-methyl-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide);N-[4-[6-methyl-5-(piperidin-1-ylsulfonylmethyl)-3-pyridinyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2,6-dimethylpyrimidin-4-amine;N-[2-chloro-4-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2-fluoro-4-methylbenzenesulfonamide;bis(2-fluoro-4-methyl-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide);N-[4-[6-methyl-5-(piperidin-1-ylsulfonylmethyl)-3-pyridinyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2,6-dimethylpyrimidin-4-amine;N-[2-chloro-4-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2-fluoro-4-methylbenzenesulfonamide;bis(2-fluoro-4-methyl-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide);N-[4-[6-methyl-5-(piperidin-1-ylsulfonylmethyl)-3-pyridinyl]-2-pyridinyl]acetamide is CC(=O)Cc1cc(-c2cnc(C)c(NS(=O)(=O)c3ccc(C)cc3F)c2)ccn1.CC(=O)Cc1cc(-c2cnc(C)c(NS(=O)(=O)c3ccc(C)cc3F)c2)ccn1.CC(=O)Cc1cc(-c2cnc(Cl)c(NS(=O)(=O)c3ccc(C)cc3F)c2C)ccn1.CC(=O)Nc1cc(-c2cnc(C)c(CS(=O)(=O)N3CCCCC3)c2)ccn1.Cc1ccc(S(=O)(=O)Cc2c(Cl)ncc(-c3ccnc(Nc4cc(C)nc(C)n4)c3)c2C)c(F)c1.
What is the InChIKey of N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2,6-dimethylpyrimidin-4-amine;N-[2-chloro-4-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2-fluoro-4-methylbenzenesulfonamide;bis(2-fluoro-4-methyl-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide);N-[4-[6-methyl-5-(piperidin-1-ylsulfonylmethyl)-3-pyridinyl]-2-pyridinyl]acetamide?
The InChIKey is ABPIAOZUYDDHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClFN5O2S.C21H19ClFN3O3S.2C21H20FN3O3S.C19H24N4O3S/c1-14-5-6-22(21(27)9-14)35(33,34)13-20-16(3)19(12-29-25(20)26)18-7-8-28-23(11-18)32-24-10-15(2)30-17(4)31-24;1-12-4-5-19(18(23)8-12)30(28,29)26-20-14(3)17(11-25-21(20)22)15-6-7-24-16(10-15)9-13(2)27;2*1-13-4-5-21(19(22)8-13)29(27,28)25-20-11-17(12-24-15(20)3)16-6-7-23-18(10-16)9-14(2)26;1-14-18(13-27(25,26)23-8-4-3-5-9-23)10-17(12-21-14)16-6-7-20-19(11-16)22-15(2)24/h5-12H,13H2,1-4H3,(H,28,30,31,32);4-8,10-11,26H,9H2,1-3H3;2*4-8,10-12,25H,9H2,1-3H3;6-7,10-12H,3-5,8-9,13H2,1-2H3,(H,20,22,24).
What are the key properties of N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2,6-dimethylpyrimidin-4-amine;N-[2-chloro-4-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2-fluoro-4-methylbenzenesulfonamide;bis(2-fluoro-4-methyl-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide);N-[4-[6-methyl-5-(piperidin-1-ylsulfonylmethyl)-3-pyridinyl]-2-pyridinyl]acetamide?
N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2,6-dimethylpyrimidin-4-amine;N-[2-chloro-4-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2-fluoro-4-methylbenzenesulfonamide;bis(2-fluoro-4-methyl-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide);N-[4-[6-methyl-5-(piperidin-1-ylsulfonylmethyl)-3-pyridinyl]-2-pyridinyl]acetamide has a molecular weight of 2175.37 g/mol, XLogP of 20.55, 29 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2,6-dimethylpyrimidin-4-amine;N-[2-chloro-4-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2-fluoro-4-methylbenzenesulfonamide;bis(2-fluoro-4-methyl-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide);N-[4-[6-methyl-5-(piperidin-1-ylsulfonylmethyl)-3-pyridinyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 157063519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).