N-[3-[2-[[(2R)-2-hydroxypropyl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)-2,5-dihydropyrrole-1-carboxamide;(2R)-1-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)amino]propan-2-ol;4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)-2,5-dihydropyrrole-1-carboxamide;3-(trifluoromethyl)-2,5-dihydro-1H-pyrrole;hydrochloride

C74H99B2ClF9IN12O10 — CID 159069986

About N-[3-[2-[[(2R)-2-hydroxypropyl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)-2,5-dihydropyrrole-1-carboxamide;(2R)-1-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)amino]propan-2-ol;4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)-2,5-dihydropyrrole-1-carboxamide;3-(trifluoromethyl)-2,5-dihydro-1H-pyrrole;hydrochloride

N-[3-[2-[[(2R)-2-hydroxypropyl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)-2,5-dihydropyrrole-1-carboxamide;(2R)-1-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)amino]propan-2-ol;4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)-2,5-dihydropyrrole-1-carboxamide;3-(trifluoromethyl)-2,5-dihydro-1H-pyrrole;hydrochloride (PubChem CID 159069986) has the molecular formula C74H99B2ClF9IN12O10 and a molecular weight of 1671.64 g/mol. Its IUPAC name is N-[3-[2-[[(2R)-2-hydroxypropyl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)-2,5-dihydropyrrole-1-carboxamide;(2R)-1-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)amino]propan-2-ol;4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)-2,5-dihydropyrrole-1-carboxamide;3-(trifluoromethyl)-2,5-dihydro-1H-pyrrole;hydrochloride.

Molecular Properties

• Compound Name: N-[3-[2-[[(2R)-2-hydroxypropyl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)-2,5-dihydropyrrole-1-carboxamide;(2R)-1-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)amino]propan-2-ol;4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)-2,5-dihydropyrrole-1-carboxamide;3-(trifluoromethyl)-2,5-dihydro-1H-pyrrole;hydrochloride
• PubChem CID: 159069986
• Molecular Formula: C74H99B2ClF9IN12O10
• Molecular Weight: 1671.64 g/mol
• Exact Mass: 1670.64
• IUPAC Name: N-[3-[2-[[(2R)-2-hydroxypropyl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)-2,5-dihydropyrrole-1-carboxamide;(2R)-1-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)amino]propan-2-ol;4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)-2,5-dihydropyrrole-1-carboxamide;3-(trifluoromethyl)-2,5-dihydro-1H-pyrrole;hydrochloride
• SMILES: C[C@@H](O)CNc1cc(I)cc(N2CCOCC2)n1.Cc1ccc(N)cc1B1OC(C)(C)C(C)(C)O1.Cc1ccc(NC(=O)N2CC=C(C(F)(F)F)C2)cc1-c1cc(NC[C@@H](C)O)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)N2CC=C(C(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.Cl.FC(F)(F)C1=CCNC1
• InChI: InChI=1S/C25H30F3N5O3.C19H24BF3N2O3.C13H20BNO2.C12H18IN3O2.C5H6F3N.ClH/c1-16-3-4-20(30-24(35)33-6-5-19(15-33)25(26,27)28)13-21(16)18-11-22(29-14-17(2)34)31-23(12-18)32-7-9-36-10-8-32;1-12-6-7-14(10-15(12)20-27-17(2,3)18(4,5)28-20)24-16(26)25-9-8-13(11-25)19(21,22)23;1-9-6-7-10(15)8-11(9)14-16-12(2,3)13(4,5)17-14;1-9(17)8-14-11-6-10(13)7-12(15-11)16-2-4-18-5-3-16;6-5(7,8)4-1-2-9-3-4;/h3-5,11-13,17,34H,6-10,14-15H2,1-2H3,(H,29,31)(H,30,35);6-8,10H,9,11H2,1-5H3,(H,24,26);6-8H,15H2,1-5H3;6-7,9,17H,2-5,8H2,1H3,(H,14,15);1,9H,2-3H2;1H/t17-;;;9-;;/m1..1../s1
• InChIKey: KECMKYDMZKDTFG-XMXGNAIPSA-N
• XLogP: 12.34
• TPSA: 254.89 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 18
• Rotatable Bonds: 13
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1671.64
LogP ≤ 5	12.34
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[[(2R)-2-hydroxypropyl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)-2,5-dihydropyrrole-1-carboxamide;(2R)-1-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)amino]propan-2-ol;4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)-2,5-dihydropyrrole-1-carboxamide;3-(trifluoromethyl)-2,5-dihydro-1H-pyrrole;hydrochloride?

The IUPAC name of N-[3-[2-[[(2R)-2-hydroxypropyl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)-2,5-dihydropyrrole-1-carboxamide;(2R)-1-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)amino]propan-2-ol;4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)-2,5-dihydropyrrole-1-carboxamide;3-(trifluoromethyl)-2,5-dihydro-1H-pyrrole;hydrochloride (CID 159069986) is N-[3-[2-[[(2R)-2-hydroxypropyl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)-2,5-dihydropyrrole-1-carboxamide;(2R)-1-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)amino]propan-2-ol;4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)-2,5-dihydropyrrole-1-carboxamide;3-(trifluoromethyl)-2,5-dihydro-1H-pyrrole;hydrochloride.

What is the SMILES notation for N-[3-[2-[[(2R)-2-hydroxypropyl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)-2,5-dihydropyrrole-1-carboxamide;(2R)-1-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)amino]propan-2-ol;4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)-2,5-dihydropyrrole-1-carboxamide;3-(trifluoromethyl)-2,5-dihydro-1H-pyrrole;hydrochloride?

The canonical SMILES for N-[3-[2-[[(2R)-2-hydroxypropyl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)-2,5-dihydropyrrole-1-carboxamide;(2R)-1-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)amino]propan-2-ol;4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)-2,5-dihydropyrrole-1-carboxamide;3-(trifluoromethyl)-2,5-dihydro-1H-pyrrole;hydrochloride is C[C@@H](O)CNc1cc(I)cc(N2CCOCC2)n1.Cc1ccc(N)cc1B1OC(C)(C)C(C)(C)O1.Cc1ccc(NC(=O)N2CC=C(C(F)(F)F)C2)cc1-c1cc(NC[C@@H](C)O)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)N2CC=C(C(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.Cl.FC(F)(F)C1=CCNC1.

What is the InChIKey of N-[3-[2-[[(2R)-2-hydroxypropyl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)-2,5-dihydropyrrole-1-carboxamide;(2R)-1-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)amino]propan-2-ol;4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)-2,5-dihydropyrrole-1-carboxamide;3-(trifluoromethyl)-2,5-dihydro-1H-pyrrole;hydrochloride?

The InChIKey is KECMKYDMZKDTFG-XMXGNAIPSA-N. The full InChI is InChI=1S/C25H30F3N5O3.C19H24BF3N2O3.C13H20BNO2.C12H18IN3O2.C5H6F3N.ClH/c1-16-3-4-20(30-24(35)33-6-5-19(15-33)25(26,27)28)13-21(16)18-11-22(29-14-17(2)34)31-23(12-18)32-7-9-36-10-8-32;1-12-6-7-14(10-15(12)20-27-17(2,3)18(4,5)28-20)24-16(26)25-9-8-13(11-25)19(21,22)23;1-9-6-7-10(15)8-11(9)14-16-12(2,3)13(4,5)17-14;1-9(17)8-14-11-6-10(13)7-12(15-11)16-2-4-18-5-3-16;6-5(7,8)4-1-2-9-3-4;/h3-5,11-13,17,34H,6-10,14-15H2,1-2H3,(H,29,31)(H,30,35);6-8,10H,9,11H2,1-5H3,(H,24,26);6-8H,15H2,1-5H3;6-7,9,17H,2-5,8H2,1H3,(H,14,15);1,9H,2-3H2;1H/t17-;;;9-;;/m1..1../s1.

What are the key properties of N-[3-[2-[[(2R)-2-hydroxypropyl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)-2,5-dihydropyrrole-1-carboxamide;(2R)-1-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)amino]propan-2-ol;4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)-2,5-dihydropyrrole-1-carboxamide;3-(trifluoromethyl)-2,5-dihydro-1H-pyrrole;hydrochloride?

N-[3-[2-[[(2R)-2-hydroxypropyl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)-2,5-dihydropyrrole-1-carboxamide;(2R)-1-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)amino]propan-2-ol;4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)-2,5-dihydropyrrole-1-carboxamide;3-(trifluoromethyl)-2,5-dihydro-1H-pyrrole;hydrochloride has a molecular weight of 1671.64 g/mol, XLogP of 12.34, 13 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-[[(2R)-2-hydroxypropyl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)-2,5-dihydropyrrole-1-carboxamide;(2R)-1-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)amino]propan-2-ol;4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)-2,5-dihydropyrrole-1-carboxamide;3-(trifluoromethyl)-2,5-dihydro-1H-pyrrole;hydrochloride is sourced from PubChem (CID 159069986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).