4-[4-chloro-6-(2-methylpyrazol-3-yl)-2-pyridinyl]morpholine;(2S)-2-methyl-N-[4-methyl-3-[2-(2-methylpyrazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]morpholine-4-carboxamide;(2S)-2-methyl-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine-4-carboxamide

C58H76BClN12O8 — CID 165042810

About 4-[4-chloro-6-(2-methylpyrazol-3-yl)-2-pyridinyl]morpholine;(2S)-2-methyl-N-[4-methyl-3-[2-(2-methylpyrazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]morpholine-4-carboxamide;(2S)-2-methyl-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine-4-carboxamide

4-[4-chloro-6-(2-methylpyrazol-3-yl)-2-pyridinyl]morpholine;(2S)-2-methyl-N-[4-methyl-3-[2-(2-methylpyrazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]morpholine-4-carboxamide;(2S)-2-methyl-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine-4-carboxamide (PubChem CID 165042810) has the molecular formula C58H76BClN12O8 and a molecular weight of 1115.59 g/mol. Its IUPAC name is 4-[4-chloro-6-(2-methylpyrazol-3-yl)-2-pyridinyl]morpholine;(2S)-2-methyl-N-[4-methyl-3-[2-(2-methylpyrazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]morpholine-4-carboxamide;(2S)-2-methyl-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine-4-carboxamide.

Molecular Properties

• Compound Name: 4-[4-chloro-6-(2-methylpyrazol-3-yl)-2-pyridinyl]morpholine;(2S)-2-methyl-N-[4-methyl-3-[2-(2-methylpyrazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]morpholine-4-carboxamide;(2S)-2-methyl-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine-4-carboxamide
• PubChem CID: 165042810
• Molecular Formula: C58H76BClN12O8
• Molecular Weight: 1115.59 g/mol
• Exact Mass: 1114.57
• IUPAC Name: 4-[4-chloro-6-(2-methylpyrazol-3-yl)-2-pyridinyl]morpholine;(2S)-2-methyl-N-[4-methyl-3-[2-(2-methylpyrazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]morpholine-4-carboxamide;(2S)-2-methyl-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine-4-carboxamide
• SMILES: Cc1ccc(NC(=O)N2CCO[C@@H](C)C2)cc1-c1cc(-c2ccnn2C)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)N2CCO[C@@H](C)C2)cc1B1OC(C)(C)C(C)(C)O1.Cn1nccc1-c1cc(Cl)cc(N2CCOCC2)n1
• InChI: InChI=1S/C26H32N6O3.C19H29BN2O4.C13H15ClN4O/c1-18-4-5-21(28-26(33)32-10-13-35-19(2)17-32)16-22(18)20-14-23(24-6-7-27-30(24)3)29-25(15-20)31-8-11-34-12-9-31;1-13-7-8-15(21-17(23)22-9-10-24-14(2)12-22)11-16(13)20-25-18(3,4)19(5,6)26-20;1-17-12(2-3-15-17)11-8-10(14)9-13(16-11)18-4-6-19-7-5-18/h4-7,14-16,19H,8-13,17H2,1-3H3,(H,28,33);7-8,11,14H,9-10,12H2,1-6H3,(H,21,23);2-3,8-9H,4-7H2,1H3/t19-;14-;/m00./s1
• InChIKey: OKFFPEDEXJIWIL-OHJBANLZSA-N
• XLogP: 8.07
• TPSA: 187.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 8
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1115.59
LogP ≤ 5	8.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-6-(2-methylpyrazol-3-yl)-2-pyridinyl]morpholine;(2S)-2-methyl-N-[4-methyl-3-[2-(2-methylpyrazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]morpholine-4-carboxamide;(2S)-2-methyl-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine-4-carboxamide?

The IUPAC name of 4-[4-chloro-6-(2-methylpyrazol-3-yl)-2-pyridinyl]morpholine;(2S)-2-methyl-N-[4-methyl-3-[2-(2-methylpyrazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]morpholine-4-carboxamide;(2S)-2-methyl-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine-4-carboxamide (CID 165042810) is 4-[4-chloro-6-(2-methylpyrazol-3-yl)-2-pyridinyl]morpholine;(2S)-2-methyl-N-[4-methyl-3-[2-(2-methylpyrazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]morpholine-4-carboxamide;(2S)-2-methyl-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine-4-carboxamide.

What is the SMILES notation for 4-[4-chloro-6-(2-methylpyrazol-3-yl)-2-pyridinyl]morpholine;(2S)-2-methyl-N-[4-methyl-3-[2-(2-methylpyrazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]morpholine-4-carboxamide;(2S)-2-methyl-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine-4-carboxamide?

The canonical SMILES for 4-[4-chloro-6-(2-methylpyrazol-3-yl)-2-pyridinyl]morpholine;(2S)-2-methyl-N-[4-methyl-3-[2-(2-methylpyrazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]morpholine-4-carboxamide;(2S)-2-methyl-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine-4-carboxamide is Cc1ccc(NC(=O)N2CCO[C@@H](C)C2)cc1-c1cc(-c2ccnn2C)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)N2CCO[C@@H](C)C2)cc1B1OC(C)(C)C(C)(C)O1.Cn1nccc1-c1cc(Cl)cc(N2CCOCC2)n1.

What is the InChIKey of 4-[4-chloro-6-(2-methylpyrazol-3-yl)-2-pyridinyl]morpholine;(2S)-2-methyl-N-[4-methyl-3-[2-(2-methylpyrazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]morpholine-4-carboxamide;(2S)-2-methyl-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine-4-carboxamide?

The InChIKey is OKFFPEDEXJIWIL-OHJBANLZSA-N. The full InChI is InChI=1S/C26H32N6O3.C19H29BN2O4.C13H15ClN4O/c1-18-4-5-21(28-26(33)32-10-13-35-19(2)17-32)16-22(18)20-14-23(24-6-7-27-30(24)3)29-25(15-20)31-8-11-34-12-9-31;1-13-7-8-15(21-17(23)22-9-10-24-14(2)12-22)11-16(13)20-25-18(3,4)19(5,6)26-20;1-17-12(2-3-15-17)11-8-10(14)9-13(16-11)18-4-6-19-7-5-18/h4-7,14-16,19H,8-13,17H2,1-3H3,(H,28,33);7-8,11,14H,9-10,12H2,1-6H3,(H,21,23);2-3,8-9H,4-7H2,1H3/t19-;14-;/m00./s1.

What are the key properties of 4-[4-chloro-6-(2-methylpyrazol-3-yl)-2-pyridinyl]morpholine;(2S)-2-methyl-N-[4-methyl-3-[2-(2-methylpyrazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]morpholine-4-carboxamide;(2S)-2-methyl-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine-4-carboxamide?

4-[4-chloro-6-(2-methylpyrazol-3-yl)-2-pyridinyl]morpholine;(2S)-2-methyl-N-[4-methyl-3-[2-(2-methylpyrazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]morpholine-4-carboxamide;(2S)-2-methyl-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine-4-carboxamide has a molecular weight of 1115.59 g/mol, XLogP of 8.07, 8 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-chloro-6-(2-methylpyrazol-3-yl)-2-pyridinyl]morpholine;(2S)-2-methyl-N-[4-methyl-3-[2-(2-methylpyrazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]morpholine-4-carboxamide;(2S)-2-methyl-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine-4-carboxamide is sourced from PubChem (CID 165042810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).