(3R)-3-ethyl-N-[3-[2-[[(2R)-1-methoxypropan-2-yl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-N-[(2R)-1-methoxypropan-2-yl]-6-morpholin-4-ylpyridin-2-amine;(2R)-1-methoxypropan-2-amine;(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

C73H108BF4I2N13O10 — CID 157263452

About (3R)-3-ethyl-N-[3-[2-[[(2R)-1-methoxypropan-2-yl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-N-[(2R)-1-methoxypropan-2-yl]-6-morpholin-4-ylpyridin-2-amine;(2R)-1-methoxypropan-2-amine;(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

(3R)-3-ethyl-N-[3-[2-[[(2R)-1-methoxypropan-2-yl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-N-[(2R)-1-methoxypropan-2-yl]-6-morpholin-4-ylpyridin-2-amine;(2R)-1-methoxypropan-2-amine;(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 157263452) has the molecular formula C73H108BF4I2N13O10 and a molecular weight of 1668.36 g/mol. Its IUPAC name is (3R)-3-ethyl-N-[3-[2-[[(2R)-1-methoxypropan-2-yl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-N-[(2R)-1-methoxypropan-2-yl]-6-morpholin-4-ylpyridin-2-amine;(2R)-1-methoxypropan-2-amine;(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: (3R)-3-ethyl-N-[3-[2-[[(2R)-1-methoxypropan-2-yl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-N-[(2R)-1-methoxypropan-2-yl]-6-morpholin-4-ylpyridin-2-amine;(2R)-1-methoxypropan-2-amine;(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: 157263452
• Molecular Formula: C73H108BF4I2N13O10
• Molecular Weight: 1668.36 g/mol
• Exact Mass: 1667.65
• IUPAC Name: (3R)-3-ethyl-N-[3-[2-[[(2R)-1-methoxypropan-2-yl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-N-[(2R)-1-methoxypropan-2-yl]-6-morpholin-4-ylpyridin-2-amine;(2R)-1-methoxypropan-2-amine;(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(N[C@H](C)COC)nc(N4CCOCC4)c3)c2)C1.COC[C@@H](C)N.COC[C@@H](C)Nc1cc(I)cc(N2CCOCC2)n1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.Fc1cc(I)cc(N2CCOCC2)n1
• InChI: InChI=1S/C27H39N5O3.C20H28BF3N2O3.C13H20IN3O2.C9H10FIN2O.C4H11NO/c1-5-21-8-9-32(17-21)27(33)29-23-7-6-19(2)24(16-23)22-14-25(28-20(3)18-34-4)30-26(15-22)31-10-12-35-13-11-31;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;1-10(9-18-2)15-12-7-11(14)8-13(16-12)17-3-5-19-6-4-17;10-8-5-7(11)6-9(12-8)13-1-3-14-4-2-13;1-4(5)3-6-2/h6-7,14-16,20-21H,5,8-13,17-18H2,1-4H3,(H,28,30)(H,29,33);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);7-8,10H,3-6,9H2,1-2H3,(H,15,16);5-6H,1-4H2;4H,3,5H2,1-2H3/t20-,21-;14-;10-;;4-/m101.1/s1
• InChIKey: AXSOJMXVJMFAHT-AOCAJXMASA-N
• XLogP: 12.32
• TPSA: 236.99 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 19
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1668.36
LogP ≤ 5	12.32
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethyl-N-[3-[2-[[(2R)-1-methoxypropan-2-yl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-N-[(2R)-1-methoxypropan-2-yl]-6-morpholin-4-ylpyridin-2-amine;(2R)-1-methoxypropan-2-amine;(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 (3R)-3-ethyl-N-[3-[2-[[(2R)-1-methoxypropan-2-yl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-N-[(2R)-1-methoxypropan-2-yl]-6-morpholin-4-ylpyridin-2-amine;(2R)-1-methoxypropan-2-amine;(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 157263452) is (3R)-3-ethyl-N-[3-[2-[[(2R)-1-methoxypropan-2-yl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-N-[(2R)-1-methoxypropan-2-yl]-6-morpholin-4-ylpyridin-2-amine;(2R)-1-methoxypropan-2-amine;(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 (3R)-3-ethyl-N-[3-[2-[[(2R)-1-methoxypropan-2-yl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-N-[(2R)-1-methoxypropan-2-yl]-6-morpholin-4-ylpyridin-2-amine;(2R)-1-methoxypropan-2-amine;(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 (3R)-3-ethyl-N-[3-[2-[[(2R)-1-methoxypropan-2-yl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-N-[(2R)-1-methoxypropan-2-yl]-6-morpholin-4-ylpyridin-2-amine;(2R)-1-methoxypropan-2-amine;(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(N[C@H](C)COC)nc(N4CCOCC4)c3)c2)C1.COC[C@@H](C)N.COC[C@@H](C)Nc1cc(I)cc(N2CCOCC2)n1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.Fc1cc(I)cc(N2CCOCC2)n1.

What is the InChIKey of (3R)-3-ethyl-N-[3-[2-[[(2R)-1-methoxypropan-2-yl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-N-[(2R)-1-methoxypropan-2-yl]-6-morpholin-4-ylpyridin-2-amine;(2R)-1-methoxypropan-2-amine;(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 AXSOJMXVJMFAHT-AOCAJXMASA-N. The full InChI is InChI=1S/C27H39N5O3.C20H28BF3N2O3.C13H20IN3O2.C9H10FIN2O.C4H11NO/c1-5-21-8-9-32(17-21)27(33)29-23-7-6-19(2)24(16-23)22-14-25(28-20(3)18-34-4)30-26(15-22)31-10-12-35-13-11-31;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;1-10(9-18-2)15-12-7-11(14)8-13(16-12)17-3-5-19-6-4-17;10-8-5-7(11)6-9(12-8)13-1-3-14-4-2-13;1-4(5)3-6-2/h6-7,14-16,20-21H,5,8-13,17-18H2,1-4H3,(H,28,30)(H,29,33);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);7-8,10H,3-6,9H2,1-2H3,(H,15,16);5-6H,1-4H2;4H,3,5H2,1-2H3/t20-,21-;14-;10-;;4-/m101.1/s1.

What are the key properties of (3R)-3-ethyl-N-[3-[2-[[(2R)-1-methoxypropan-2-yl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-N-[(2R)-1-methoxypropan-2-yl]-6-morpholin-4-ylpyridin-2-amine;(2R)-1-methoxypropan-2-amine;(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?

(3R)-3-ethyl-N-[3-[2-[[(2R)-1-methoxypropan-2-yl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-N-[(2R)-1-methoxypropan-2-yl]-6-morpholin-4-ylpyridin-2-amine;(2R)-1-methoxypropan-2-amine;(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 1668.36 g/mol, XLogP of 12.32, 19 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-ethyl-N-[3-[2-[[(2R)-1-methoxypropan-2-yl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-N-[(2R)-1-methoxypropan-2-yl]-6-morpholin-4-ylpyridin-2-amine;(2R)-1-methoxypropan-2-amine;(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 157263452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).