N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-1-methylcyclopropane-1-sulfonamide;4-(4,6-dichloro-2-pyridinyl)morpholine;methane;1-methylcyclopropane-1-sulfonamide;(3S)-N-[4-methyl-3-[2-[(1-methylcyclopropyl)sulfonylamino]-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-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

C74H103BCl3F6N13O13S3 — CID 158559889

About N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-1-methylcyclopropane-1-sulfonamide;4-(4,6-dichloro-2-pyridinyl)morpholine;methane;1-methylcyclopropane-1-sulfonamide;(3S)-N-[4-methyl-3-[2-[(1-methylcyclopropyl)sulfonylamino]-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-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

N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-1-methylcyclopropane-1-sulfonamide;4-(4,6-dichloro-2-pyridinyl)morpholine;methane;1-methylcyclopropane-1-sulfonamide;(3S)-N-[4-methyl-3-[2-[(1-methylcyclopropyl)sulfonylamino]-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-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 158559889) has the molecular formula C74H103BCl3F6N13O13S3 and a molecular weight of 1710.08 g/mol. Its IUPAC name is N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-1-methylcyclopropane-1-sulfonamide;4-(4,6-dichloro-2-pyridinyl)morpholine;methane;1-methylcyclopropane-1-sulfonamide;(3S)-N-[4-methyl-3-[2-[(1-methylcyclopropyl)sulfonylamino]-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-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: N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-1-methylcyclopropane-1-sulfonamide;4-(4,6-dichloro-2-pyridinyl)morpholine;methane;1-methylcyclopropane-1-sulfonamide;(3S)-N-[4-methyl-3-[2-[(1-methylcyclopropyl)sulfonylamino]-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-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: 158559889
• Molecular Formula: C74H103BCl3F6N13O13S3
• Molecular Weight: 1710.08 g/mol
• Exact Mass: 1707.60
• IUPAC Name: N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-1-methylcyclopropane-1-sulfonamide;4-(4,6-dichloro-2-pyridinyl)morpholine;methane;1-methylcyclopropane-1-sulfonamide;(3S)-N-[4-methyl-3-[2-[(1-methylcyclopropyl)sulfonylamino]-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-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: C.CC1(S(=O)(=O)Nc2cc(Cl)cc(N3CCOCC3)n2)CC1.CC1(S(N)(=O)=O)CC1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(NS(=O)(=O)C2(C)CC2)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.Clc1cc(Cl)nc(N2CCOCC2)c1
• InChI: InChI=1S/C27H34F3N5O4S.C20H28BF3N2O3.C13H18ClN3O3S.C9H10Cl2N2O.C4H9NO2S.CH4/c1-18-3-4-21(31-25(36)35-8-5-19(17-35)16-27(28,29)30)15-22(18)20-13-23(33-40(37,38)26(2)6-7-26)32-24(14-20)34-9-11-39-12-10-34;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;1-13(2-3-13)21(18,19)16-11-8-10(14)9-12(15-11)17-4-6-20-7-5-17;10-7-5-8(11)12-9(6-7)13-1-3-14-4-2-13;1-4(2-3-4)8(5,6)7;/h3-4,13-15,19H,5-12,16-17H2,1-2H3,(H,31,36)(H,32,33);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);8-9H,2-7H2,1H3,(H,15,16);5-6H,1-4H2;2-3H2,1H3,(H2,5,6,7);1H4/t19-;14-;;;;/m00..../s1
• InChIKey: HQTDGEWRSDWECV-FZISIXPKSA-N
• XLogP: 13.65
• TPSA: 311.72 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 16
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1710.08
LogP ≤ 5	13.65
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-1-methylcyclopropane-1-sulfonamide;4-(4,6-dichloro-2-pyridinyl)morpholine;methane;1-methylcyclopropane-1-sulfonamide;(3S)-N-[4-methyl-3-[2-[(1-methylcyclopropyl)sulfonylamino]-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-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 N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-1-methylcyclopropane-1-sulfonamide;4-(4,6-dichloro-2-pyridinyl)morpholine;methane;1-methylcyclopropane-1-sulfonamide;(3S)-N-[4-methyl-3-[2-[(1-methylcyclopropyl)sulfonylamino]-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-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 158559889) is N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-1-methylcyclopropane-1-sulfonamide;4-(4,6-dichloro-2-pyridinyl)morpholine;methane;1-methylcyclopropane-1-sulfonamide;(3S)-N-[4-methyl-3-[2-[(1-methylcyclopropyl)sulfonylamino]-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-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 N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-1-methylcyclopropane-1-sulfonamide;4-(4,6-dichloro-2-pyridinyl)morpholine;methane;1-methylcyclopropane-1-sulfonamide;(3S)-N-[4-methyl-3-[2-[(1-methylcyclopropyl)sulfonylamino]-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-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 N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-1-methylcyclopropane-1-sulfonamide;4-(4,6-dichloro-2-pyridinyl)morpholine;methane;1-methylcyclopropane-1-sulfonamide;(3S)-N-[4-methyl-3-[2-[(1-methylcyclopropyl)sulfonylamino]-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-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 C.CC1(S(=O)(=O)Nc2cc(Cl)cc(N3CCOCC3)n2)CC1.CC1(S(N)(=O)=O)CC1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(NS(=O)(=O)C2(C)CC2)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.Clc1cc(Cl)nc(N2CCOCC2)c1.

What is the InChIKey of N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-1-methylcyclopropane-1-sulfonamide;4-(4,6-dichloro-2-pyridinyl)morpholine;methane;1-methylcyclopropane-1-sulfonamide;(3S)-N-[4-methyl-3-[2-[(1-methylcyclopropyl)sulfonylamino]-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-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 HQTDGEWRSDWECV-FZISIXPKSA-N. The full InChI is InChI=1S/C27H34F3N5O4S.C20H28BF3N2O3.C13H18ClN3O3S.C9H10Cl2N2O.C4H9NO2S.CH4/c1-18-3-4-21(31-25(36)35-8-5-19(17-35)16-27(28,29)30)15-22(18)20-13-23(33-40(37,38)26(2)6-7-26)32-24(14-20)34-9-11-39-12-10-34;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;1-13(2-3-13)21(18,19)16-11-8-10(14)9-12(15-11)17-4-6-20-7-5-17;10-7-5-8(11)12-9(6-7)13-1-3-14-4-2-13;1-4(2-3-4)8(5,6)7;/h3-4,13-15,19H,5-12,16-17H2,1-2H3,(H,31,36)(H,32,33);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);8-9H,2-7H2,1H3,(H,15,16);5-6H,1-4H2;2-3H2,1H3,(H2,5,6,7);1H4/t19-;14-;;;;/m00..../s1.

What are the key properties of N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-1-methylcyclopropane-1-sulfonamide;4-(4,6-dichloro-2-pyridinyl)morpholine;methane;1-methylcyclopropane-1-sulfonamide;(3S)-N-[4-methyl-3-[2-[(1-methylcyclopropyl)sulfonylamino]-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-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?

N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-1-methylcyclopropane-1-sulfonamide;4-(4,6-dichloro-2-pyridinyl)morpholine;methane;1-methylcyclopropane-1-sulfonamide;(3S)-N-[4-methyl-3-[2-[(1-methylcyclopropyl)sulfonylamino]-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-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 1710.08 g/mol, XLogP of 13.65, 16 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-1-methylcyclopropane-1-sulfonamide;4-(4,6-dichloro-2-pyridinyl)morpholine;methane;1-methylcyclopropane-1-sulfonamide;(3S)-N-[4-methyl-3-[2-[(1-methylcyclopropyl)sulfonylamino]-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-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 158559889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).