[(3R)-3-aminopyrrolidin-1-yl]-[1-[5-(4-cyclopropyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methanone;2-bromo-4-cyclopropylpyridine;tert-butyl N-[(3R)-1-[1-(5-bromopyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carbonyl]pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[1-[5-(4-cyclopropyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carbonyl]pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carbonyl]pyrrolidin-3-yl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C133H164B3Br2N23O16 — CID 158564245

About [(3R)-3-aminopyrrolidin-1-yl]-[1-[5-(4-cyclopropyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methanone;2-bromo-4-cyclopropylpyridine;tert-butyl N-[(3R)-1-[1-(5-bromopyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carbonyl]pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[1-[5-(4-cyclopropyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carbonyl]pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carbonyl]pyrrolidin-3-yl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

[(3R)-3-aminopyrrolidin-1-yl]-[1-[5-(4-cyclopropyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methanone;2-bromo-4-cyclopropylpyridine;tert-butyl N-[(3R)-1-[1-(5-bromopyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carbonyl]pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[1-[5-(4-cyclopropyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carbonyl]pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carbonyl]pyrrolidin-3-yl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 158564245) has the molecular formula C133H164B3Br2N23O16 and a molecular weight of 2533.16 g/mol. Its IUPAC name is [(3R)-3-aminopyrrolidin-1-yl]-[1-[5-(4-cyclopropyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methanone;2-bromo-4-cyclopropylpyridine;tert-butyl N-[(3R)-1-[1-(5-bromopyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carbonyl]pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[1-[5-(4-cyclopropyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carbonyl]pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carbonyl]pyrrolidin-3-yl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: [(3R)-3-aminopyrrolidin-1-yl]-[1-[5-(4-cyclopropyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methanone;2-bromo-4-cyclopropylpyridine;tert-butyl N-[(3R)-1-[1-(5-bromopyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carbonyl]pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[1-[5-(4-cyclopropyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carbonyl]pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carbonyl]pyrrolidin-3-yl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 158564245
• Molecular Formula: C133H164B3Br2N23O16
• Molecular Weight: 2533.16 g/mol
• Exact Mass: 2530.14
• IUPAC Name: [(3R)-3-aminopyrrolidin-1-yl]-[1-[5-(4-cyclopropyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methanone;2-bromo-4-cyclopropylpyridine;tert-butyl N-[(3R)-1-[1-(5-bromopyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carbonyl]pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[1-[5-(4-cyclopropyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carbonyl]pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carbonyl]pyrrolidin-3-yl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: Brc1cc(C2CC2)ccn1.CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2ccc3c(c2)N(c2ncc(-c4cc(C5CC5)ccn4)cn2)CC32CC2)C1.CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2ccc3c(c2)N(c2ncc(B4OC(C)(C)C(C)(C)O4)cn2)CC32CC2)C1.CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2ccc3c(c2)N(c2ncc(Br)cn2)CC32CC2)C1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.N[C@@H]1CCN(C(=O)c2ccc3c(c2)N(c2ncc(-c4cc(C5CC5)ccn4)cn2)CC32CC2)C1
• InChI: InChI=1S/C32H36N6O3.C30H40BN5O5.C27H28N6O.C24H28BrN5O3.C12H24B2O4.C8H8BrN/c1-31(2,3)41-30(40)36-24-9-13-37(18-24)28(39)22-6-7-25-27(15-22)38(19-32(25)10-11-32)29-34-16-23(17-35-29)26-14-21(8-12-33-26)20-4-5-20;1-27(2,3)39-26(38)34-21-10-13-35(17-21)24(37)19-8-9-22-23(14-19)36(18-30(22)11-12-30)25-32-15-20(16-33-25)31-40-28(4,5)29(6,7)41-31;28-21-6-10-32(15-21)25(34)19-3-4-22-24(12-19)33(16-27(22)7-8-27)26-30-13-20(14-31-26)23-11-18(5-9-29-23)17-1-2-17;1-23(2,3)33-22(32)28-17-6-9-29(13-17)20(31)15-4-5-18-19(10-15)30(14-24(18)7-8-24)21-26-11-16(25)12-27-21;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;9-8-5-7(3-4-10-8)6-1-2-6/h6-8,12,14-17,20,24H,4-5,9-11,13,18-19H2,1-3H3,(H,36,40);8-9,14-16,21H,10-13,17-18H2,1-7H3,(H,34,38);3-5,9,11-14,17,21H,1-2,6-8,10,15-16,28H2;4-5,10-12,17H,6-9,13-14H2,1-3H3,(H,28,32);1-8H3;3-6H,1-2H2/t24-;2*21-;17-;;/m1111../s1
• InChIKey: HRGUGKOFNQLCAC-VYUSIJTFSA-N
• XLogP: 21.94
• TPSA: 432.38 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 32
• Rotatable Bonds: 18
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2533.16
LogP ≤ 5	21.94
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	32

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'}

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-[1-[5-(4-cyclopropyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methanone;2-bromo-4-cyclopropylpyridine;tert-butyl N-[(3R)-1-[1-(5-bromopyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carbonyl]pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[1-[5-(4-cyclopropyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carbonyl]pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carbonyl]pyrrolidin-3-yl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-[1-[5-(4-cyclopropyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methanone;2-bromo-4-cyclopropylpyridine;tert-butyl N-[(3R)-1-[1-(5-bromopyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carbonyl]pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[1-[5-(4-cyclopropyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carbonyl]pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carbonyl]pyrrolidin-3-yl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 158564245) is [(3R)-3-aminopyrrolidin-1-yl]-[1-[5-(4-cyclopropyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methanone;2-bromo-4-cyclopropylpyridine;tert-butyl N-[(3R)-1-[1-(5-bromopyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carbonyl]pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[1-[5-(4-cyclopropyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carbonyl]pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carbonyl]pyrrolidin-3-yl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for [(3R)-3-aminopyrrolidin-1-yl]-[1-[5-(4-cyclopropyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methanone;2-bromo-4-cyclopropylpyridine;tert-butyl N-[(3R)-1-[1-(5-bromopyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carbonyl]pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[1-[5-(4-cyclopropyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carbonyl]pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carbonyl]pyrrolidin-3-yl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The canonical SMILES for [(3R)-3-aminopyrrolidin-1-yl]-[1-[5-(4-cyclopropyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methanone;2-bromo-4-cyclopropylpyridine;tert-butyl N-[(3R)-1-[1-(5-bromopyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carbonyl]pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[1-[5-(4-cyclopropyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carbonyl]pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carbonyl]pyrrolidin-3-yl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is Brc1cc(C2CC2)ccn1.CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2ccc3c(c2)N(c2ncc(-c4cc(C5CC5)ccn4)cn2)CC32CC2)C1.CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2ccc3c(c2)N(c2ncc(B4OC(C)(C)C(C)(C)O4)cn2)CC32CC2)C1.CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2ccc3c(c2)N(c2ncc(Br)cn2)CC32CC2)C1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.N[C@@H]1CCN(C(=O)c2ccc3c(c2)N(c2ncc(-c4cc(C5CC5)ccn4)cn2)CC32CC2)C1.

What is the InChIKey of [(3R)-3-aminopyrrolidin-1-yl]-[1-[5-(4-cyclopropyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methanone;2-bromo-4-cyclopropylpyridine;tert-butyl N-[(3R)-1-[1-(5-bromopyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carbonyl]pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[1-[5-(4-cyclopropyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carbonyl]pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carbonyl]pyrrolidin-3-yl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is HRGUGKOFNQLCAC-VYUSIJTFSA-N. The full InChI is InChI=1S/C32H36N6O3.C30H40BN5O5.C27H28N6O.C24H28BrN5O3.C12H24B2O4.C8H8BrN/c1-31(2,3)41-30(40)36-24-9-13-37(18-24)28(39)22-6-7-25-27(15-22)38(19-32(25)10-11-32)29-34-16-23(17-35-29)26-14-21(8-12-33-26)20-4-5-20;1-27(2,3)39-26(38)34-21-10-13-35(17-21)24(37)19-8-9-22-23(14-19)36(18-30(22)11-12-30)25-32-15-20(16-33-25)31-40-28(4,5)29(6,7)41-31;28-21-6-10-32(15-21)25(34)19-3-4-22-24(12-19)33(16-27(22)7-8-27)26-30-13-20(14-31-26)23-11-18(5-9-29-23)17-1-2-17;1-23(2,3)33-22(32)28-17-6-9-29(13-17)20(31)15-4-5-18-19(10-15)30(14-24(18)7-8-24)21-26-11-16(25)12-27-21;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;9-8-5-7(3-4-10-8)6-1-2-6/h6-8,12,14-17,20,24H,4-5,9-11,13,18-19H2,1-3H3,(H,36,40);8-9,14-16,21H,10-13,17-18H2,1-7H3,(H,34,38);3-5,9,11-14,17,21H,1-2,6-8,10,15-16,28H2;4-5,10-12,17H,6-9,13-14H2,1-3H3,(H,28,32);1-8H3;3-6H,1-2H2/t24-;2*21-;17-;;/m1111../s1.

What are the key properties of [(3R)-3-aminopyrrolidin-1-yl]-[1-[5-(4-cyclopropyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methanone;2-bromo-4-cyclopropylpyridine;tert-butyl N-[(3R)-1-[1-(5-bromopyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carbonyl]pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[1-[5-(4-cyclopropyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carbonyl]pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carbonyl]pyrrolidin-3-yl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

[(3R)-3-aminopyrrolidin-1-yl]-[1-[5-(4-cyclopropyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methanone;2-bromo-4-cyclopropylpyridine;tert-butyl N-[(3R)-1-[1-(5-bromopyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carbonyl]pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[1-[5-(4-cyclopropyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carbonyl]pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carbonyl]pyrrolidin-3-yl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 2533.16 g/mol, XLogP of 21.94, 18 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R)-3-aminopyrrolidin-1-yl]-[1-[5-(4-cyclopropyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methanone;2-bromo-4-cyclopropylpyridine;tert-butyl N-[(3R)-1-[1-(5-bromopyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carbonyl]pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[1-[5-(4-cyclopropyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carbonyl]pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-1-[1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carbonyl]pyrrolidin-3-yl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 158564245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).