(3S)-N-[3-[2-amino-6-[[(2R)-1-methoxypropan-2-yl]amino]-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;ethoxyethane;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

C73H109BF7I2N13O10 — CID 160636390

About (3S)-N-[3-[2-amino-6-[[(2R)-1-methoxypropan-2-yl]amino]-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;ethoxyethane;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

(3S)-N-[3-[2-amino-6-[[(2R)-1-methoxypropan-2-yl]amino]-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;ethoxyethane;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 160636390) has the molecular formula C73H109BF7I2N13O10 and a molecular weight of 1726.36 g/mol. Its IUPAC name is (3S)-N-[3-[2-amino-6-[[(2R)-1-methoxypropan-2-yl]amino]-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;ethoxyethane;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: (3S)-N-[3-[2-amino-6-[[(2R)-1-methoxypropan-2-yl]amino]-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;ethoxyethane;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: 160636390
• Molecular Formula: C73H109BF7I2N13O10
• Molecular Weight: 1726.36 g/mol
• Exact Mass: 1725.65
• IUPAC Name: (3S)-N-[3-[2-amino-6-[[(2R)-1-methoxypropan-2-yl]amino]-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;ethoxyethane;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: CCOCC.COC[C@@H](C)N.COC[C@@H](C)Nc1cc(-c2cc(NC(=O)N3CC[C@@H](CC(F)(F)F)C3)ccc2C)cc(N)n1.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/C23H30F3N5O2.C20H28BF3N2O3.C13H20IN3O2.C9H10FIN2O.C4H11NO.C4H10O/c1-14-4-5-18(29-22(32)31-7-6-16(12-31)11-23(24,25)26)10-19(14)17-8-20(27)30-21(9-17)28-15(2)13-33-3;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;1-3-5-4-2/h4-5,8-10,15-16H,6-7,11-13H2,1-3H3,(H,29,32)(H3,27,28,30);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;3-4H2,1-2H3/t15-,16+;14-;10-;;4-;/m101.1./s1
• InChIKey: RIOZAHIPTIKNOH-JJQBBUAVSA-N
• XLogP: 13.65
• TPSA: 259.77 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 20
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1726.36
LogP ≤ 5	13.65
H-Bond Donors ≤ 5	6
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 (3S)-N-[3-[2-amino-6-[[(2R)-1-methoxypropan-2-yl]amino]-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;ethoxyethane;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 (3S)-N-[3-[2-amino-6-[[(2R)-1-methoxypropan-2-yl]amino]-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;ethoxyethane;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 160636390) is (3S)-N-[3-[2-amino-6-[[(2R)-1-methoxypropan-2-yl]amino]-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;ethoxyethane;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 (3S)-N-[3-[2-amino-6-[[(2R)-1-methoxypropan-2-yl]amino]-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;ethoxyethane;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 (3S)-N-[3-[2-amino-6-[[(2R)-1-methoxypropan-2-yl]amino]-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;ethoxyethane;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 CCOCC.COC[C@@H](C)N.COC[C@@H](C)Nc1cc(-c2cc(NC(=O)N3CC[C@@H](CC(F)(F)F)C3)ccc2C)cc(N)n1.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 (3S)-N-[3-[2-amino-6-[[(2R)-1-methoxypropan-2-yl]amino]-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;ethoxyethane;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 RIOZAHIPTIKNOH-JJQBBUAVSA-N. The full InChI is InChI=1S/C23H30F3N5O2.C20H28BF3N2O3.C13H20IN3O2.C9H10FIN2O.C4H11NO.C4H10O/c1-14-4-5-18(29-22(32)31-7-6-16(12-31)11-23(24,25)26)10-19(14)17-8-20(27)30-21(9-17)28-15(2)13-33-3;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;1-3-5-4-2/h4-5,8-10,15-16H,6-7,11-13H2,1-3H3,(H,29,32)(H3,27,28,30);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;3-4H2,1-2H3/t15-,16+;14-;10-;;4-;/m101.1./s1.

What are the key properties of (3S)-N-[3-[2-amino-6-[[(2R)-1-methoxypropan-2-yl]amino]-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;ethoxyethane;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?

(3S)-N-[3-[2-amino-6-[[(2R)-1-methoxypropan-2-yl]amino]-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;ethoxyethane;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 1726.36 g/mol, XLogP of 13.65, 20 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-N-[3-[2-amino-6-[[(2R)-1-methoxypropan-2-yl]amino]-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;ethoxyethane;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 160636390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).