2-chloro-3-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-3-pyridinyl]-5-fluoro-2-pyridinyl]-2-methylpyrimidin-4-amine;N-(4-chloro-5-fluoro-2-pyridinyl)-2-methylpyrimidin-4-amine

C51H44BCl3F6N10O6S2 — CID 158940516

IUPAC2-chloro-3-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-3-pyridinyl]-5-fluoro-2-pyridinyl]-2-methylpyrimidin-4-amine;N-(4-chloro-5-fluoro-2-pyridinyl)-2-methylpyrimidin-4-amine
SMILESCc1c(B2OC(C)(C)C(C)(C)O2)cnc(Cl)c1CS(=O)(=O)c1ccc(F)cc1F.Cc1nccc(Nc2cc(-c3cnc(Cl)c(CS(=O)(=O)c4ccc(F)cc4F)c3)c(F)cn2)n1.Cc1nccc(Nc2cc(Cl)c(F)cn2)n1
InChIInChI=1S/C22H15ClF3N5O2S.C19H21BClF2NO4S.C10H8ClFN4/c1-12-27-5-4-20(30-12)31-21-8-16(18(26)10-28-21)13-6-14(22(23)29-9-13)11-34(32,33)19-3-2-15(24)7-17(19)25;1-11-13(10-29(25,26)16-7-6-12(22)8-15(16)23)17(21)24-9-14(11)20-27-18(2,3)19(4,5)28-20;1-6-13-3-2-9(15-6)16-10-4-7(11)8(12)5-14-10/h2-10H,11H2,1H3,(H,27,28,30,31);6-9H,10H2,1-5H3;2-5H,1H3,(H,13,14,15,16)
InChIKeyJKELQGSQZAKNLH-UHFFFAOYSA-N
MW1188.27 g/mol
LogP11.34
Rot. Bonds12

About 2-chloro-3-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-3-pyridinyl]-5-fluoro-2-pyridinyl]-2-methylpyrimidin-4-amine;N-(4-chloro-5-fluoro-2-pyridinyl)-2-methylpyrimidin-4-amine

2-chloro-3-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-3-pyridinyl]-5-fluoro-2-pyridinyl]-2-methylpyrimidin-4-amine;N-(4-chloro-5-fluoro-2-pyridinyl)-2-methylpyrimidin-4-amine (PubChem CID 158940516) has the molecular formula C51H44BCl3F6N10O6S2 and a molecular weight of 1188.27 g/mol. Its IUPAC name is 2-chloro-3-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-3-pyridinyl]-5-fluoro-2-pyridinyl]-2-methylpyrimidin-4-amine;N-(4-chloro-5-fluoro-2-pyridinyl)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-3-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-3-pyridinyl]-5-fluoro-2-pyridinyl]-2-methylpyrimidin-4-amine;N-(4-chloro-5-fluoro-2-pyridinyl)-2-methylpyrimidin-4-amine
PubChem CID158940516
Molecular FormulaC51H44BCl3F6N10O6S2
Molecular Weight1188.27 g/mol
Exact Mass1186.19
IUPAC Name2-chloro-3-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-3-pyridinyl]-5-fluoro-2-pyridinyl]-2-methylpyrimidin-4-amine;N-(4-chloro-5-fluoro-2-pyridinyl)-2-methylpyrimidin-4-amine
SMILESCc1c(B2OC(C)(C)C(C)(C)O2)cnc(Cl)c1CS(=O)(=O)c1ccc(F)cc1F.Cc1nccc(Nc2cc(-c3cnc(Cl)c(CS(=O)(=O)c4ccc(F)cc4F)c3)c(F)cn2)n1.Cc1nccc(Nc2cc(Cl)c(F)cn2)n1
InChIInChI=1S/C22H15ClF3N5O2S.C19H21BClF2NO4S.C10H8ClFN4/c1-12-27-5-4-20(30-12)31-21-8-16(18(26)10-28-21)13-6-14(22(23)29-9-13)11-34(32,33)19-3-2-15(24)7-17(19)25;1-11-13(10-29(25,26)16-7-6-12(22)8-15(16)23)17(21)24-9-14(11)20-27-18(2,3)19(4,5)28-20;1-6-13-3-2-9(15-6)16-10-4-7(11)8(12)5-14-10/h2-10H,11H2,1H3,(H,27,28,30,31);6-9H,10H2,1-5H3;2-5H,1H3,(H,13,14,15,16)
InChIKeyJKELQGSQZAKNLH-UHFFFAOYSA-N
XLogP11.34
TPSA213.92 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001188.27
LogP ≤ 511.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 2-chloro-3-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-3-pyridinyl]-5-fluoro-2-pyridinyl]-2-methylpyrimidin-4-amine;N-(4-chloro-5-fluoro-2-pyridinyl)-2-methylpyrimidin-4-amine 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

N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-4-methylpyrimidin-2-amine
CID 147313086
N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine
CID 148162488
N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2,6-dimethylpyrimidin-4-amine
CID 149407845
N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-1-oxidopyridin-1-ium-3-yl]-2-pyridinyl]-2-methylpyrimidin-4-amine
CID 153033332
N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-5-fluoro-2-pyridinyl]-2-methylpyrimidin-4-amine
CID 157923187
N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-cyclopropylpyrimidin-4-amine
CID 157957185
N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine
CID 158181316
2-[[4-[6-Chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]amino]pyrimidine-5-carbonitrile
CID 158610374
N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-ethyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine
CID 158738561
(3S)-4-[4-chloro-6-(1-propan-2-ylsulfonylcyclobutyl)pyrimidin-2-yl]-3-methylmorpholine;(3S)-4-[4-chloro-6-(propan-2-ylsulfonylmethyl)pyrimidin-2-yl]-3-methylmorpholine;5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(1-propan-2-ylsulfonylcyclobutyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 159003632
4-[4-Chloro-6-(chloromethyl)pyrimidin-2-yl]morpholine;4-[4-chloro-6-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-2-yl]morpholine;4-[4-chloro-6-[1-(3-fluorophenyl)sulfonylcyclopropyl]pyrimidin-2-yl]morpholine;4-[4-chloro-6-[(3-fluorophenyl)sulfonylmethyl]pyrimidin-2-yl]morpholine;5-[6-[1-(3-fluorophenyl)sulfonylcyclopropyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 159149180
N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-methoxypyrimidin-4-amine
CID 159402868

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-3-pyridinyl]-5-fluoro-2-pyridinyl]-2-methylpyrimidin-4-amine;N-(4-chloro-5-fluoro-2-pyridinyl)-2-methylpyrimidin-4-amine?
The IUPAC name of 2-chloro-3-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-3-pyridinyl]-5-fluoro-2-pyridinyl]-2-methylpyrimidin-4-amine;N-(4-chloro-5-fluoro-2-pyridinyl)-2-methylpyrimidin-4-amine (CID 158940516) is 2-chloro-3-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-3-pyridinyl]-5-fluoro-2-pyridinyl]-2-methylpyrimidin-4-amine;N-(4-chloro-5-fluoro-2-pyridinyl)-2-methylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-3-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-3-pyridinyl]-5-fluoro-2-pyridinyl]-2-methylpyrimidin-4-amine;N-(4-chloro-5-fluoro-2-pyridinyl)-2-methylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-3-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-3-pyridinyl]-5-fluoro-2-pyridinyl]-2-methylpyrimidin-4-amine;N-(4-chloro-5-fluoro-2-pyridinyl)-2-methylpyrimidin-4-amine is Cc1c(B2OC(C)(C)C(C)(C)O2)cnc(Cl)c1CS(=O)(=O)c1ccc(F)cc1F.Cc1nccc(Nc2cc(-c3cnc(Cl)c(CS(=O)(=O)c4ccc(F)cc4F)c3)c(F)cn2)n1.Cc1nccc(Nc2cc(Cl)c(F)cn2)n1.
What is the InChIKey of 2-chloro-3-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-3-pyridinyl]-5-fluoro-2-pyridinyl]-2-methylpyrimidin-4-amine;N-(4-chloro-5-fluoro-2-pyridinyl)-2-methylpyrimidin-4-amine?
The InChIKey is JKELQGSQZAKNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClF3N5O2S.C19H21BClF2NO4S.C10H8ClFN4/c1-12-27-5-4-20(30-12)31-21-8-16(18(26)10-28-21)13-6-14(22(23)29-9-13)11-34(32,33)19-3-2-15(24)7-17(19)25;1-11-13(10-29(25,26)16-7-6-12(22)8-15(16)23)17(21)24-9-14(11)20-27-18(2,3)19(4,5)28-20;1-6-13-3-2-9(15-6)16-10-4-7(11)8(12)5-14-10/h2-10H,11H2,1H3,(H,27,28,30,31);6-9H,10H2,1-5H3;2-5H,1H3,(H,13,14,15,16).
What are the key properties of 2-chloro-3-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-3-pyridinyl]-5-fluoro-2-pyridinyl]-2-methylpyrimidin-4-amine;N-(4-chloro-5-fluoro-2-pyridinyl)-2-methylpyrimidin-4-amine?
2-chloro-3-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-3-pyridinyl]-5-fluoro-2-pyridinyl]-2-methylpyrimidin-4-amine;N-(4-chloro-5-fluoro-2-pyridinyl)-2-methylpyrimidin-4-amine has a molecular weight of 1188.27 g/mol, XLogP of 11.34, 12 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-3-pyridinyl]-5-fluoro-2-pyridinyl]-2-methylpyrimidin-4-amine;N-(4-chloro-5-fluoro-2-pyridinyl)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 158940516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).