4-[4-chloro-6-[2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]morpholine;4-[4-chloro-6-(1H-pyrazol-5-yl)-2-pyridinyl]morpholine;4-(4,6-dichloro-2-pyridinyl)morpholine;(3S)-N-[3-[2-[2-(2-hydroxyethyl)pyrazol-3-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;2-iodoethanol;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

C82H105BCl4F3IN18O11 — CID 165049068

About 4-[4-chloro-6-[2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]morpholine;4-[4-chloro-6-(1H-pyrazol-5-yl)-2-pyridinyl]morpholine;4-(4,6-dichloro-2-pyridinyl)morpholine;(3S)-N-[3-[2-[2-(2-hydroxyethyl)pyrazol-3-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;2-iodoethanol;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

4-[4-chloro-6-[2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]morpholine;4-[4-chloro-6-(1H-pyrazol-5-yl)-2-pyridinyl]morpholine;4-(4,6-dichloro-2-pyridinyl)morpholine;(3S)-N-[3-[2-[2-(2-hydroxyethyl)pyrazol-3-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;2-iodoethanol;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (PubChem CID 165049068) has the molecular formula C82H105BCl4F3IN18O11 and a molecular weight of 1855.38 g/mol. Its IUPAC name is 4-[4-chloro-6-[2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]morpholine;4-[4-chloro-6-(1H-pyrazol-5-yl)-2-pyridinyl]morpholine;4-(4,6-dichloro-2-pyridinyl)morpholine;(3S)-N-[3-[2-[2-(2-hydroxyethyl)pyrazol-3-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;2-iodoethanol;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

Molecular Properties

• Compound Name: 4-[4-chloro-6-[2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]morpholine;4-[4-chloro-6-(1H-pyrazol-5-yl)-2-pyridinyl]morpholine;4-(4,6-dichloro-2-pyridinyl)morpholine;(3S)-N-[3-[2-[2-(2-hydroxyethyl)pyrazol-3-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;2-iodoethanol;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• PubChem CID: 165049068
• Molecular Formula: C82H105BCl4F3IN18O11
• Molecular Weight: 1855.38 g/mol
• Exact Mass: 1852.61
• IUPAC Name: 4-[4-chloro-6-[2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]morpholine;4-[4-chloro-6-(1H-pyrazol-5-yl)-2-pyridinyl]morpholine;4-(4,6-dichloro-2-pyridinyl)morpholine;(3S)-N-[3-[2-[2-(2-hydroxyethyl)pyrazol-3-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;2-iodoethanol;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• SMILES: CC1(C)OB(c2ccnn2C2CCCCO2)OC1(C)C.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(-c2ccnn2CCO)nc(N2CCOCC2)c1.Clc1cc(-c2ccn[nH]2)nc(N2CCOCC2)c1.Clc1cc(-c2ccnn2C2CCCCO2)nc(N2CCOCC2)c1.Clc1cc(Cl)nc(N2CCOCC2)c1.OCCI
• InChI: InChI=1S/C28H33F3N6O3.C17H21ClN4O2.C14H23BN2O3.C12H13ClN4O.C9H10Cl2N2O.C2H5IO/c1-19-2-3-22(33-27(39)36-7-5-20(18-36)17-28(29,30)31)16-23(19)21-14-24(25-4-6-32-37(25)8-11-38)34-26(15-21)35-9-12-40-13-10-35;18-13-11-14(20-16(12-13)21-6-9-23-10-7-21)15-4-5-19-22(15)17-3-1-2-8-24-17;1-13(2)14(3,4)20-15(19-13)11-8-9-16-17(11)12-7-5-6-10-18-12;13-9-7-11(10-1-2-14-16-10)15-12(8-9)17-3-5-18-6-4-17;10-7-5-8(11)12-9(6-7)13-1-3-14-4-2-13;3-1-2-4/h2-4,6,14-16,20,38H,5,7-13,17-18H2,1H3,(H,33,39);4-5,11-12,17H,1-3,6-10H2;8-9,12H,5-7,10H2,1-4H3;1-2,7-8H,3-6H2,(H,14,16);5-6H,1-4H2;4H,1-2H2/t20-;;;;;/m0...../s1
• InChIKey: PJKDEZBFMUPCRR-WKLPPPHPSA-N
• XLogP: 14.17
• TPSA: 293.30 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 16
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1855.38
LogP ≤ 5	14.17
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-6-[2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]morpholine;4-[4-chloro-6-(1H-pyrazol-5-yl)-2-pyridinyl]morpholine;4-(4,6-dichloro-2-pyridinyl)morpholine;(3S)-N-[3-[2-[2-(2-hydroxyethyl)pyrazol-3-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;2-iodoethanol;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The IUPAC name of 4-[4-chloro-6-[2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]morpholine;4-[4-chloro-6-(1H-pyrazol-5-yl)-2-pyridinyl]morpholine;4-(4,6-dichloro-2-pyridinyl)morpholine;(3S)-N-[3-[2-[2-(2-hydroxyethyl)pyrazol-3-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;2-iodoethanol;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (CID 165049068) is 4-[4-chloro-6-[2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]morpholine;4-[4-chloro-6-(1H-pyrazol-5-yl)-2-pyridinyl]morpholine;4-(4,6-dichloro-2-pyridinyl)morpholine;(3S)-N-[3-[2-[2-(2-hydroxyethyl)pyrazol-3-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;2-iodoethanol;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

What is the SMILES notation for 4-[4-chloro-6-[2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]morpholine;4-[4-chloro-6-(1H-pyrazol-5-yl)-2-pyridinyl]morpholine;4-(4,6-dichloro-2-pyridinyl)morpholine;(3S)-N-[3-[2-[2-(2-hydroxyethyl)pyrazol-3-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;2-iodoethanol;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The canonical SMILES for 4-[4-chloro-6-[2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]morpholine;4-[4-chloro-6-(1H-pyrazol-5-yl)-2-pyridinyl]morpholine;4-(4,6-dichloro-2-pyridinyl)morpholine;(3S)-N-[3-[2-[2-(2-hydroxyethyl)pyrazol-3-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;2-iodoethanol;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is CC1(C)OB(c2ccnn2C2CCCCO2)OC1(C)C.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(-c2ccnn2CCO)nc(N2CCOCC2)c1.Clc1cc(-c2ccn[nH]2)nc(N2CCOCC2)c1.Clc1cc(-c2ccnn2C2CCCCO2)nc(N2CCOCC2)c1.Clc1cc(Cl)nc(N2CCOCC2)c1.OCCI.

What is the InChIKey of 4-[4-chloro-6-[2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]morpholine;4-[4-chloro-6-(1H-pyrazol-5-yl)-2-pyridinyl]morpholine;4-(4,6-dichloro-2-pyridinyl)morpholine;(3S)-N-[3-[2-[2-(2-hydroxyethyl)pyrazol-3-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;2-iodoethanol;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The InChIKey is PJKDEZBFMUPCRR-WKLPPPHPSA-N. The full InChI is InChI=1S/C28H33F3N6O3.C17H21ClN4O2.C14H23BN2O3.C12H13ClN4O.C9H10Cl2N2O.C2H5IO/c1-19-2-3-22(33-27(39)36-7-5-20(18-36)17-28(29,30)31)16-23(19)21-14-24(25-4-6-32-37(25)8-11-38)34-26(15-21)35-9-12-40-13-10-35;18-13-11-14(20-16(12-13)21-6-9-23-10-7-21)15-4-5-19-22(15)17-3-1-2-8-24-17;1-13(2)14(3,4)20-15(19-13)11-8-9-16-17(11)12-7-5-6-10-18-12;13-9-7-11(10-1-2-14-16-10)15-12(8-9)17-3-5-18-6-4-17;10-7-5-8(11)12-9(6-7)13-1-3-14-4-2-13;3-1-2-4/h2-4,6,14-16,20,38H,5,7-13,17-18H2,1H3,(H,33,39);4-5,11-12,17H,1-3,6-10H2;8-9,12H,5-7,10H2,1-4H3;1-2,7-8H,3-6H2,(H,14,16);5-6H,1-4H2;4H,1-2H2/t20-;;;;;/m0...../s1.

What are the key properties of 4-[4-chloro-6-[2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]morpholine;4-[4-chloro-6-(1H-pyrazol-5-yl)-2-pyridinyl]morpholine;4-(4,6-dichloro-2-pyridinyl)morpholine;(3S)-N-[3-[2-[2-(2-hydroxyethyl)pyrazol-3-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;2-iodoethanol;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

4-[4-chloro-6-[2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]morpholine;4-[4-chloro-6-(1H-pyrazol-5-yl)-2-pyridinyl]morpholine;4-(4,6-dichloro-2-pyridinyl)morpholine;(3S)-N-[3-[2-[2-(2-hydroxyethyl)pyrazol-3-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;2-iodoethanol;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole has a molecular weight of 1855.38 g/mol, XLogP of 14.17, 16 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-chloro-6-[2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]morpholine;4-[4-chloro-6-(1H-pyrazol-5-yl)-2-pyridinyl]morpholine;4-(4,6-dichloro-2-pyridinyl)morpholine;(3S)-N-[3-[2-[2-(2-hydroxyethyl)pyrazol-3-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;2-iodoethanol;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is sourced from PubChem (CID 165049068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).