4-chloro-6-morpholin-4-ylpyridin-2-amine;2-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-1,2-thiazolidine 1,1-dioxide;3-chloropropane-1-sulfonyl chloride;(3R)-N-[3-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

C70H97BCl4F3N13O13S3 — CID 159867827

About 4-chloro-6-morpholin-4-ylpyridin-2-amine;2-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-1,2-thiazolidine 1,1-dioxide;3-chloropropane-1-sulfonyl chloride;(3R)-N-[3-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

4-chloro-6-morpholin-4-ylpyridin-2-amine;2-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-1,2-thiazolidine 1,1-dioxide;3-chloropropane-1-sulfonyl chloride;(3R)-N-[3-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (PubChem CID 159867827) has the molecular formula C70H97BCl4F3N13O13S3 and a molecular weight of 1634.44 g/mol. Its IUPAC name is 4-chloro-6-morpholin-4-ylpyridin-2-amine;2-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-1,2-thiazolidine 1,1-dioxide;3-chloropropane-1-sulfonyl chloride;(3R)-N-[3-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.

Molecular Properties

• Compound Name: 4-chloro-6-morpholin-4-ylpyridin-2-amine;2-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-1,2-thiazolidine 1,1-dioxide;3-chloropropane-1-sulfonyl chloride;(3R)-N-[3-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
• PubChem CID: 159867827
• Molecular Formula: C70H97BCl4F3N13O13S3
• Molecular Weight: 1634.44 g/mol
• Exact Mass: 1631.53
• IUPAC Name: 4-chloro-6-morpholin-4-ylpyridin-2-amine;2-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-1,2-thiazolidine 1,1-dioxide;3-chloropropane-1-sulfonyl chloride;(3R)-N-[3-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
• SMILES: CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(N4CCOCC4)nc(N4CCCS4(=O)=O)c3)c2)C1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.Nc1cc(Cl)cc(N2CCOCC2)n1.O=S(=O)(Cl)CCCCl.O=S1(=O)CCCN1c1cc(Cl)cc(N2CCOCC2)n1
• InChI: InChI=1S/C26H35N5O4S.C20H28BF3N2O3.C12H16ClN3O3S.C9H12ClN3O.C3H6Cl2O2S/c1-3-20-7-9-30(18-20)26(32)27-22-6-5-19(2)23(17-22)21-15-24(29-10-12-35-13-11-29)28-25(16-21)31-8-4-14-36(31,33)34;1-13-6-7-15(10-16(13)21-28-18(2,3)19(4,5)29-21)25-17(27)26-9-8-14(12-26)11-20(22,23)24;13-10-8-11(15-3-5-19-6-4-15)14-12(9-10)16-2-1-7-20(16,17)18;10-7-5-8(11)12-9(6-7)13-1-3-14-4-2-13;4-2-1-3-8(5,6)7/h5-6,15-17,20H,3-4,7-14,18H2,1-2H3,(H,27,32);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);8-9H,1-7H2;5-6H,1-4H2,(H2,11,12);1-3H2/t20-;14-;;;/m10.../s1
• InChIKey: NRYLCUAZEKTZBF-QJUAWZAZSA-N
• XLogP: 11.25
• TPSA: 294.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 14
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1634.44
LogP ≤ 5	11.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-morpholin-4-ylpyridin-2-amine;2-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-1,2-thiazolidine 1,1-dioxide;3-chloropropane-1-sulfonyl chloride;(3R)-N-[3-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?

The IUPAC name of 4-chloro-6-morpholin-4-ylpyridin-2-amine;2-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-1,2-thiazolidine 1,1-dioxide;3-chloropropane-1-sulfonyl chloride;(3R)-N-[3-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (CID 159867827) is 4-chloro-6-morpholin-4-ylpyridin-2-amine;2-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-1,2-thiazolidine 1,1-dioxide;3-chloropropane-1-sulfonyl chloride;(3R)-N-[3-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.

What is the SMILES notation for 4-chloro-6-morpholin-4-ylpyridin-2-amine;2-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-1,2-thiazolidine 1,1-dioxide;3-chloropropane-1-sulfonyl chloride;(3R)-N-[3-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?

The canonical SMILES for 4-chloro-6-morpholin-4-ylpyridin-2-amine;2-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-1,2-thiazolidine 1,1-dioxide;3-chloropropane-1-sulfonyl chloride;(3R)-N-[3-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(N4CCOCC4)nc(N4CCCS4(=O)=O)c3)c2)C1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.Nc1cc(Cl)cc(N2CCOCC2)n1.O=S(=O)(Cl)CCCCl.O=S1(=O)CCCN1c1cc(Cl)cc(N2CCOCC2)n1.

What is the InChIKey of 4-chloro-6-morpholin-4-ylpyridin-2-amine;2-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-1,2-thiazolidine 1,1-dioxide;3-chloropropane-1-sulfonyl chloride;(3R)-N-[3-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?

The InChIKey is NRYLCUAZEKTZBF-QJUAWZAZSA-N. The full InChI is InChI=1S/C26H35N5O4S.C20H28BF3N2O3.C12H16ClN3O3S.C9H12ClN3O.C3H6Cl2O2S/c1-3-20-7-9-30(18-20)26(32)27-22-6-5-19(2)23(17-22)21-15-24(29-10-12-35-13-11-29)28-25(16-21)31-8-4-14-36(31,33)34;1-13-6-7-15(10-16(13)21-28-18(2,3)19(4,5)29-21)25-17(27)26-9-8-14(12-26)11-20(22,23)24;13-10-8-11(15-3-5-19-6-4-15)14-12(9-10)16-2-1-7-20(16,17)18;10-7-5-8(11)12-9(6-7)13-1-3-14-4-2-13;4-2-1-3-8(5,6)7/h5-6,15-17,20H,3-4,7-14,18H2,1-2H3,(H,27,32);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);8-9H,1-7H2;5-6H,1-4H2,(H2,11,12);1-3H2/t20-;14-;;;/m10.../s1.

What are the key properties of 4-chloro-6-morpholin-4-ylpyridin-2-amine;2-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-1,2-thiazolidine 1,1-dioxide;3-chloropropane-1-sulfonyl chloride;(3R)-N-[3-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?

4-chloro-6-morpholin-4-ylpyridin-2-amine;2-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-1,2-thiazolidine 1,1-dioxide;3-chloropropane-1-sulfonyl chloride;(3R)-N-[3-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide has a molecular weight of 1634.44 g/mol, XLogP of 11.25, 14 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-6-morpholin-4-ylpyridin-2-amine;2-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-1,2-thiazolidine 1,1-dioxide;3-chloropropane-1-sulfonyl chloride;(3R)-N-[3-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 159867827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).