(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[[(3R)-oxan-3-yl]amino]-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-6-morpholin-4-yl-N-[(3R)-oxan-3-yl]pyridin-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)-oxan-3-amine;sulfane;hydrochloride

C76H111BClF4I2N13O10S — CID 162194532

About (3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[[(3R)-oxan-3-yl]amino]-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-6-morpholin-4-yl-N-[(3R)-oxan-3-yl]pyridin-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)-oxan-3-amine;sulfane;hydrochloride

(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[[(3R)-oxan-3-yl]amino]-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-6-morpholin-4-yl-N-[(3R)-oxan-3-yl]pyridin-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)-oxan-3-amine;sulfane;hydrochloride (PubChem CID 162194532) has the molecular formula C76H111BClF4I2N13O10S and a molecular weight of 1774.94 g/mol. Its IUPAC name is (3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[[(3R)-oxan-3-yl]amino]-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-6-morpholin-4-yl-N-[(3R)-oxan-3-yl]pyridin-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)-oxan-3-amine;sulfane;hydrochloride.

Molecular Properties

• Compound Name: (3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[[(3R)-oxan-3-yl]amino]-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-6-morpholin-4-yl-N-[(3R)-oxan-3-yl]pyridin-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)-oxan-3-amine;sulfane;hydrochloride
• PubChem CID: 162194532
• Molecular Formula: C76H111BClF4I2N13O10S
• Molecular Weight: 1774.94 g/mol
• Exact Mass: 1773.61
• IUPAC Name: (3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[[(3R)-oxan-3-yl]amino]-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-6-morpholin-4-yl-N-[(3R)-oxan-3-yl]pyridin-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)-oxan-3-amine;sulfane;hydrochloride
• SMILES: CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(N[C@@H]4CCCOC4)nc(N4CCOCC4)c3)c2)C1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.Cl.Fc1cc(I)cc(N2CCOCC2)n1.Ic1cc(N[C@@H]2CCCOC2)nc(N2CCOCC2)c1.N[C@@H]1CCCOC1.S
• InChI: InChI=1S/C28H39N5O3.C20H28BF3N2O3.C14H20IN3O2.C9H10FIN2O.C5H11NO.ClH.H2S/c1-3-21-8-9-33(18-21)28(34)30-23-7-6-20(2)25(17-23)22-15-26(29-24-5-4-12-36-19-24)31-27(16-22)32-10-13-35-14-11-32;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;15-11-8-13(16-12-2-1-5-20-10-12)17-14(9-11)18-3-6-19-7-4-18;10-8-5-7(11)6-9(12-8)13-1-3-14-4-2-13;6-5-2-1-3-7-4-5;;/h6-7,15-17,21,24H,3-5,8-14,18-19H2,1-2H3,(H,29,31)(H,30,34);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);8-9,12H,1-7,10H2,(H,16,17);5-6H,1-4H2;5H,1-4,6H2;1H;1H2/t21-,24-;14-;12-;;5-;;/m101.1../s1
• InChIKey: ZFOADRZOCOWMBR-LDALQNIJSA-N
• XLogP: 13.28
• TPSA: 236.99 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 13
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1774.94
LogP ≤ 5	13.28
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-[4-methyl-3-[2-morpholin-4-yl-6-[[(3R)-oxan-3-yl]amino]-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-6-morpholin-4-yl-N-[(3R)-oxan-3-yl]pyridin-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)-oxan-3-amine;sulfane;hydrochloride?

The IUPAC name of (3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[[(3R)-oxan-3-yl]amino]-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-6-morpholin-4-yl-N-[(3R)-oxan-3-yl]pyridin-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)-oxan-3-amine;sulfane;hydrochloride (CID 162194532) is (3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[[(3R)-oxan-3-yl]amino]-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-6-morpholin-4-yl-N-[(3R)-oxan-3-yl]pyridin-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)-oxan-3-amine;sulfane;hydrochloride.

What is the SMILES notation for (3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[[(3R)-oxan-3-yl]amino]-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-6-morpholin-4-yl-N-[(3R)-oxan-3-yl]pyridin-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)-oxan-3-amine;sulfane;hydrochloride?

The canonical SMILES for (3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[[(3R)-oxan-3-yl]amino]-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-6-morpholin-4-yl-N-[(3R)-oxan-3-yl]pyridin-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)-oxan-3-amine;sulfane;hydrochloride is CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(N[C@@H]4CCCOC4)nc(N4CCOCC4)c3)c2)C1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.Cl.Fc1cc(I)cc(N2CCOCC2)n1.Ic1cc(N[C@@H]2CCCOC2)nc(N2CCOCC2)c1.N[C@@H]1CCCOC1.S.

What is the InChIKey of (3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[[(3R)-oxan-3-yl]amino]-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-6-morpholin-4-yl-N-[(3R)-oxan-3-yl]pyridin-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)-oxan-3-amine;sulfane;hydrochloride?

The InChIKey is ZFOADRZOCOWMBR-LDALQNIJSA-N. The full InChI is InChI=1S/C28H39N5O3.C20H28BF3N2O3.C14H20IN3O2.C9H10FIN2O.C5H11NO.ClH.H2S/c1-3-21-8-9-33(18-21)28(34)30-23-7-6-20(2)25(17-23)22-15-26(29-24-5-4-12-36-19-24)31-27(16-22)32-10-13-35-14-11-32;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;15-11-8-13(16-12-2-1-5-20-10-12)17-14(9-11)18-3-6-19-7-4-18;10-8-5-7(11)6-9(12-8)13-1-3-14-4-2-13;6-5-2-1-3-7-4-5;;/h6-7,15-17,21,24H,3-5,8-14,18-19H2,1-2H3,(H,29,31)(H,30,34);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);8-9,12H,1-7,10H2,(H,16,17);5-6H,1-4H2;5H,1-4,6H2;1H;1H2/t21-,24-;14-;12-;;5-;;/m101.1../s1.

What are the key properties of (3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[[(3R)-oxan-3-yl]amino]-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-6-morpholin-4-yl-N-[(3R)-oxan-3-yl]pyridin-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)-oxan-3-amine;sulfane;hydrochloride?

(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[[(3R)-oxan-3-yl]amino]-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-6-morpholin-4-yl-N-[(3R)-oxan-3-yl]pyridin-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)-oxan-3-amine;sulfane;hydrochloride has a molecular weight of 1774.94 g/mol, XLogP of 13.28, 13 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[[(3R)-oxan-3-yl]amino]-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-6-morpholin-4-yl-N-[(3R)-oxan-3-yl]pyridin-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)-oxan-3-amine;sulfane;hydrochloride is sourced from PubChem (CID 162194532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).