tert-butyl N-(3-azabicyclo[3.1.0]hexan-1-yl)carbamate;tert-butyl N-[(1R)-3-[4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-1-yl]carbamate;tert-butyl N-[3-[4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-1-yl]carbamate;tert-butyl N-[3-(4-iodo-6-morpholin-4-yl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-1-yl]carbamate;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;(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

C124H175BF4I2N22O17 — CID 159334907

About tert-butyl N-(3-azabicyclo[3.1.0]hexan-1-yl)carbamate;tert-butyl N-[(1R)-3-[4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-1-yl]carbamate;tert-butyl N-[3-[4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-1-yl]carbamate;tert-butyl N-[3-(4-iodo-6-morpholin-4-yl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-1-yl]carbamate;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;(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

tert-butyl N-(3-azabicyclo[3.1.0]hexan-1-yl)carbamate;tert-butyl N-[(1R)-3-[4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-1-yl]carbamate;tert-butyl N-[3-[4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-1-yl]carbamate;tert-butyl N-[3-(4-iodo-6-morpholin-4-yl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-1-yl]carbamate;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;(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 159334907) has the molecular formula C124H175BF4I2N22O17 and a molecular weight of 2586.51 g/mol. Its IUPAC name is tert-butyl N-(3-azabicyclo[3.1.0]hexan-1-yl)carbamate;tert-butyl N-[(1R)-3-[4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-1-yl]carbamate;tert-butyl N-[3-[4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-1-yl]carbamate;tert-butyl N-[3-(4-iodo-6-morpholin-4-yl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-1-yl]carbamate;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;(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: tert-butyl N-(3-azabicyclo[3.1.0]hexan-1-yl)carbamate;tert-butyl N-[(1R)-3-[4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-1-yl]carbamate;tert-butyl N-[3-[4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-1-yl]carbamate;tert-butyl N-[3-(4-iodo-6-morpholin-4-yl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-1-yl]carbamate;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;(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: 159334907
• Molecular Formula: C124H175BF4I2N22O17
• Molecular Weight: 2586.51 g/mol
• Exact Mass: 2585.16
• IUPAC Name: tert-butyl N-(3-azabicyclo[3.1.0]hexan-1-yl)carbamate;tert-butyl N-[(1R)-3-[4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-1-yl]carbamate;tert-butyl N-[3-[4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-1-yl]carbamate;tert-butyl N-[3-(4-iodo-6-morpholin-4-yl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-1-yl]carbamate;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;(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)(C)OC(=O)NC12CC1CN(c1cc(I)cc(N3CCOCC3)n1)C2.CC(C)(C)OC(=O)NC12CNCC1C2.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(N4CCOCC4)nc(N4CC5CC5(NC(=O)OC(C)(C)C)C4)c3)c2)C1.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(N4CCOCC4)nc(N4CC5C[C@]5(NC(=O)OC(C)(C)C)C4)c3)c2)C1.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/2C33H46N6O4.C20H28BF3N2O3.C19H27IN4O3.C10H18N2O2.C9H10FIN2O/c2*1-6-23-9-10-38(19-23)30(40)34-26-8-7-22(2)27(17-26)24-15-28(37-11-13-42-14-12-37)35-29(16-24)39-20-25-18-33(25,21-39)36-31(41)43-32(3,4)5;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;1-18(2,3)27-17(25)22-19-10-13(19)11-24(12-19)16-9-14(20)8-15(21-16)23-4-6-26-7-5-23;1-9(2,3)14-8(13)12-10-4-7(10)5-11-6-10;10-8-5-7(11)6-9(12-8)13-1-3-14-4-2-13/h2*7-8,15-17,23,25H,6,9-14,18-21H2,1-5H3,(H,34,40)(H,36,41);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);8-9,13H,4-7,10-12H2,1-3H3,(H,22,25);7,11H,4-6H2,1-3H3,(H,12,13);5-6H,1-4H2/t23-,25?,33?;23-,25?,33+;14-;;;/m110.../s1
• InChIKey: LFKHGQCMEMZPHN-ZCCCDTMESA-N
• XLogP: 19.78
• TPSA: 391.99 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 29
• Rotatable Bonds: 20
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2586.51
LogP ≤ 5	19.78
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'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 tert-butyl N-(3-azabicyclo[3.1.0]hexan-1-yl)carbamate;tert-butyl N-[(1R)-3-[4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-1-yl]carbamate;tert-butyl N-[3-[4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-1-yl]carbamate;tert-butyl N-[3-(4-iodo-6-morpholin-4-yl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-1-yl]carbamate;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;(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 tert-butyl N-(3-azabicyclo[3.1.0]hexan-1-yl)carbamate;tert-butyl N-[(1R)-3-[4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-1-yl]carbamate;tert-butyl N-[3-[4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-1-yl]carbamate;tert-butyl N-[3-(4-iodo-6-morpholin-4-yl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-1-yl]carbamate;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;(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 159334907) is tert-butyl N-(3-azabicyclo[3.1.0]hexan-1-yl)carbamate;tert-butyl N-[(1R)-3-[4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-1-yl]carbamate;tert-butyl N-[3-[4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-1-yl]carbamate;tert-butyl N-[3-(4-iodo-6-morpholin-4-yl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-1-yl]carbamate;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;(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 tert-butyl N-(3-azabicyclo[3.1.0]hexan-1-yl)carbamate;tert-butyl N-[(1R)-3-[4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-1-yl]carbamate;tert-butyl N-[3-[4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-1-yl]carbamate;tert-butyl N-[3-(4-iodo-6-morpholin-4-yl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-1-yl]carbamate;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;(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 tert-butyl N-(3-azabicyclo[3.1.0]hexan-1-yl)carbamate;tert-butyl N-[(1R)-3-[4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-1-yl]carbamate;tert-butyl N-[3-[4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-1-yl]carbamate;tert-butyl N-[3-(4-iodo-6-morpholin-4-yl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-1-yl]carbamate;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;(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)(C)OC(=O)NC12CC1CN(c1cc(I)cc(N3CCOCC3)n1)C2.CC(C)(C)OC(=O)NC12CNCC1C2.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(N4CCOCC4)nc(N4CC5CC5(NC(=O)OC(C)(C)C)C4)c3)c2)C1.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(N4CCOCC4)nc(N4CC5C[C@]5(NC(=O)OC(C)(C)C)C4)c3)c2)C1.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 tert-butyl N-(3-azabicyclo[3.1.0]hexan-1-yl)carbamate;tert-butyl N-[(1R)-3-[4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-1-yl]carbamate;tert-butyl N-[3-[4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-1-yl]carbamate;tert-butyl N-[3-(4-iodo-6-morpholin-4-yl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-1-yl]carbamate;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;(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 LFKHGQCMEMZPHN-ZCCCDTMESA-N. The full InChI is InChI=1S/2C33H46N6O4.C20H28BF3N2O3.C19H27IN4O3.C10H18N2O2.C9H10FIN2O/c2*1-6-23-9-10-38(19-23)30(40)34-26-8-7-22(2)27(17-26)24-15-28(37-11-13-42-14-12-37)35-29(16-24)39-20-25-18-33(25,21-39)36-31(41)43-32(3,4)5;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;1-18(2,3)27-17(25)22-19-10-13(19)11-24(12-19)16-9-14(20)8-15(21-16)23-4-6-26-7-5-23;1-9(2,3)14-8(13)12-10-4-7(10)5-11-6-10;10-8-5-7(11)6-9(12-8)13-1-3-14-4-2-13/h2*7-8,15-17,23,25H,6,9-14,18-21H2,1-5H3,(H,34,40)(H,36,41);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);8-9,13H,4-7,10-12H2,1-3H3,(H,22,25);7,11H,4-6H2,1-3H3,(H,12,13);5-6H,1-4H2/t23-,25?,33?;23-,25?,33+;14-;;;/m110.../s1.

What are the key properties of tert-butyl N-(3-azabicyclo[3.1.0]hexan-1-yl)carbamate;tert-butyl N-[(1R)-3-[4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-1-yl]carbamate;tert-butyl N-[3-[4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-1-yl]carbamate;tert-butyl N-[3-(4-iodo-6-morpholin-4-yl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-1-yl]carbamate;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;(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?

tert-butyl N-(3-azabicyclo[3.1.0]hexan-1-yl)carbamate;tert-butyl N-[(1R)-3-[4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-1-yl]carbamate;tert-butyl N-[3-[4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-1-yl]carbamate;tert-butyl N-[3-(4-iodo-6-morpholin-4-yl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-1-yl]carbamate;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;(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 2586.51 g/mol, XLogP of 19.78, 20 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-(3-azabicyclo[3.1.0]hexan-1-yl)carbamate;tert-butyl N-[(1R)-3-[4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-1-yl]carbamate;tert-butyl N-[3-[4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-1-yl]carbamate;tert-butyl N-[3-(4-iodo-6-morpholin-4-yl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-1-yl]carbamate;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;(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 159334907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).