(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-2-[2-[3-carbamoyl-5-(furan-2-yl)pyrazol-1-yl]acetyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-2-[2-[5-carbamoyl-3-(furan-2-yl)pyrazol-1-yl]acetyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;tert-butyl 2-bromoacetate;tert-butyl 2-[3-carbamoyl-5-(furan-2-yl)pyrazol-1-yl]acetate;tert-butyl 2-[5-carbamoyl-3-(furan-2-yl)pyrazol-1-yl]acetate;2-[3-carbamoyl-5-(furan-2-yl)pyrazol-1-yl]acetic acid;2-[5-carbamoyl-3-(furan-2-yl)pyrazol-1-yl]acetic acid;3-(furan-2-yl)-2H-pyrrole-5-carboxamide

C122H133Br4N29O29 — CID 159459574

IUPAC(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-2-[2-[3-carbamoyl-5-(furan-2-yl)pyrazol-1-yl]acetyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-2-[2-[5-carbamoyl-3-(furan-2-yl)pyrazol-1-yl]acetyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;tert-butyl 2-bromoacetate;tert-butyl 2-[3-carbamoyl-5-(furan-2-yl)pyrazol-1-yl]acetate;tert-butyl 2-[5-carbamoyl-3-(furan-2-yl)pyrazol-1-yl]acetate;2-[3-carbamoyl-5-(furan-2-yl)pyrazol-1-yl]acetic acid;2-[5-carbamoyl-3-(furan-2-yl)pyrazol-1-yl]acetic acid;3-(furan-2-yl)-2H-pyrrole-5-carboxamide
SMILESCC(C)(C)OC(=O)CBr.CC(C)(C)OC(=O)Cn1nc(-c2ccco2)cc1C(N)=O.CC(C)(C)OC(=O)Cn1nc(C(N)=O)cc1-c1ccco1.Cc1ccc(Br)nc1NC(=O)[C@@H]1C[C@@]2(C)C[C@H]2N1.Cc1ccc(Br)nc1NC(=O)[C@@H]1C[C@@]2(C)C[C@H]2N1C(=O)Cn1nc(-c2ccco2)cc1C(N)=O.Cc1ccc(Br)nc1NC(=O)[C@@H]1C[C@@]2(C)C[C@H]2N1C(=O)Cn1nc(C(N)=O)cc1-c1ccco1.NC(=O)C1=NCC(c2ccco2)=C1.NC(=O)c1cc(-c2ccco2)n(CC(=O)O)n1.NC(=O)c1cc(-c2ccco2)nn1CC(=O)O
InChIInChI=1S/2C23H23BrN6O4.2C14H17N3O4.C13H16BrN3O.2C10H9N3O4.C9H8N2O2.C6H11BrO2/c1-12-5-6-18(24)26-21(12)27-22(33)15-9-23(2)10-17(23)30(15)19(31)11-29-14(16-4-3-7-34-16)8-13(28-29)20(25)32;1-12-5-6-18(24)26-21(12)27-22(33)15-9-23(2)10-17(23)30(15)19(31)11-29-14(20(25)32)8-13(28-29)16-4-3-7-34-16;1-14(2,3)21-12(18)8-17-10(11-5-4-6-20-11)7-9(16-17)13(15)19;1-14(2,3)21-12(18)8-17-10(13(15)19)7-9(16-17)11-5-4-6-20-11;1-7-3-4-10(14)16-11(7)17-12(18)8-5-13(2)6-9(13)15-8;11-10(16)6-4-7(8-2-1-3-17-8)13(12-6)5-9(14)15;11-10(16)7-4-6(8-2-1-3-17-8)12-13(7)5-9(14)15;10-9(12)7-4-6(5-11-7)8-2-1-3-13-8;1-6(2,3)9-5(8)4-7/h2*3-8,15,17H,9-11H2,1-2H3,(H2,25,32)(H,26,27,33);2*4-7H,8H2,1-3H3,(H2,15,19);3-4,8-9,15H,5-6H2,1-2H3,(H,16,17,18);2*1-4H,5H2,(H2,11,16)(H,14,15);1-4H,5H2,(H2,10,12);4H2,1-3H3/t2*15-,17+,23-;;;8-,9+,13-;;;;/m00..0..../s1
InChIKeyLUKMQLGPSRTVCD-FDEHVOEHSA-N
MW2789.20 g/mol
LogP13.83
Rot. Bonds33

About (1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-2-[2-[3-carbamoyl-5-(furan-2-yl)pyrazol-1-yl]acetyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-2-[2-[5-carbamoyl-3-(furan-2-yl)pyrazol-1-yl]acetyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;tert-butyl 2-bromoacetate;tert-butyl 2-[3-carbamoyl-5-(furan-2-yl)pyrazol-1-yl]acetate;tert-butyl 2-[5-carbamoyl-3-(furan-2-yl)pyrazol-1-yl]acetate;2-[3-carbamoyl-5-(furan-2-yl)pyrazol-1-yl]acetic acid;2-[5-carbamoyl-3-(furan-2-yl)pyrazol-1-yl]acetic acid;3-(furan-2-yl)-2H-pyrrole-5-carboxamide

(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-2-[2-[3-carbamoyl-5-(furan-2-yl)pyrazol-1-yl]acetyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-2-[2-[5-carbamoyl-3-(furan-2-yl)pyrazol-1-yl]acetyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;tert-butyl 2-bromoacetate;tert-butyl 2-[3-carbamoyl-5-(furan-2-yl)pyrazol-1-yl]acetate;tert-butyl 2-[5-carbamoyl-3-(furan-2-yl)pyrazol-1-yl]acetate;2-[3-carbamoyl-5-(furan-2-yl)pyrazol-1-yl]acetic acid;2-[5-carbamoyl-3-(furan-2-yl)pyrazol-1-yl]acetic acid;3-(furan-2-yl)-2H-pyrrole-5-carboxamide (PubChem CID 159459574) has the molecular formula C122H133Br4N29O29 and a molecular weight of 2789.20 g/mol. Its IUPAC name is (1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-2-[2-[3-carbamoyl-5-(furan-2-yl)pyrazol-1-yl]acetyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-2-[2-[5-carbamoyl-3-(furan-2-yl)pyrazol-1-yl]acetyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;tert-butyl 2-bromoacetate;tert-butyl 2-[3-carbamoyl-5-(furan-2-yl)pyrazol-1-yl]acetate;tert-butyl 2-[5-carbamoyl-3-(furan-2-yl)pyrazol-1-yl]acetate;2-[3-carbamoyl-5-(furan-2-yl)pyrazol-1-yl]acetic acid;2-[5-carbamoyl-3-(furan-2-yl)pyrazol-1-yl]acetic acid;3-(furan-2-yl)-2H-pyrrole-5-carboxamide.

Molecular Properties

Compound Name(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-2-[2-[3-carbamoyl-5-(furan-2-yl)pyrazol-1-yl]acetyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-2-[2-[5-carbamoyl-3-(furan-2-yl)pyrazol-1-yl]acetyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;tert-butyl 2-bromoacetate;tert-butyl 2-[3-carbamoyl-5-(furan-2-yl)pyrazol-1-yl]acetate;tert-butyl 2-[5-carbamoyl-3-(furan-2-yl)pyrazol-1-yl]acetate;2-[3-carbamoyl-5-(furan-2-yl)pyrazol-1-yl]acetic acid;2-[5-carbamoyl-3-(furan-2-yl)pyrazol-1-yl]acetic acid;3-(furan-2-yl)-2H-pyrrole-5-carboxamide
PubChem CID159459574
Molecular FormulaC122H133Br4N29O29
Molecular Weight2789.20 g/mol
Exact Mass2783.66
IUPAC Name(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-2-[2-[3-carbamoyl-5-(furan-2-yl)pyrazol-1-yl]acetyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-2-[2-[5-carbamoyl-3-(furan-2-yl)pyrazol-1-yl]acetyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;tert-butyl 2-bromoacetate;tert-butyl 2-[3-carbamoyl-5-(furan-2-yl)pyrazol-1-yl]acetate;tert-butyl 2-[5-carbamoyl-3-(furan-2-yl)pyrazol-1-yl]acetate;2-[3-carbamoyl-5-(furan-2-yl)pyrazol-1-yl]acetic acid;2-[5-carbamoyl-3-(furan-2-yl)pyrazol-1-yl]acetic acid;3-(furan-2-yl)-2H-pyrrole-5-carboxamide
SMILESCC(C)(C)OC(=O)CBr.CC(C)(C)OC(=O)Cn1nc(-c2ccco2)cc1C(N)=O.CC(C)(C)OC(=O)Cn1nc(C(N)=O)cc1-c1ccco1.Cc1ccc(Br)nc1NC(=O)[C@@H]1C[C@@]2(C)C[C@H]2N1.Cc1ccc(Br)nc1NC(=O)[C@@H]1C[C@@]2(C)C[C@H]2N1C(=O)Cn1nc(-c2ccco2)cc1C(N)=O.Cc1ccc(Br)nc1NC(=O)[C@@H]1C[C@@]2(C)C[C@H]2N1C(=O)Cn1nc(C(N)=O)cc1-c1ccco1.NC(=O)C1=NCC(c2ccco2)=C1.NC(=O)c1cc(-c2ccco2)n(CC(=O)O)n1.NC(=O)c1cc(-c2ccco2)nn1CC(=O)O
InChIInChI=1S/2C23H23BrN6O4.2C14H17N3O4.C13H16BrN3O.2C10H9N3O4.C9H8N2O2.C6H11BrO2/c1-12-5-6-18(24)26-21(12)27-22(33)15-9-23(2)10-17(23)30(15)19(31)11-29-14(16-4-3-7-34-16)8-13(28-29)20(25)32;1-12-5-6-18(24)26-21(12)27-22(33)15-9-23(2)10-17(23)30(15)19(31)11-29-14(20(25)32)8-13(28-29)16-4-3-7-34-16;1-14(2,3)21-12(18)8-17-10(11-5-4-6-20-11)7-9(16-17)13(15)19;1-14(2,3)21-12(18)8-17-10(13(15)19)7-9(16-17)11-5-4-6-20-11;1-7-3-4-10(14)16-11(7)17-12(18)8-5-13(2)6-9(13)15-8;11-10(16)6-4-7(8-2-1-3-17-8)13(12-6)5-9(14)15;11-10(16)7-4-6(8-2-1-3-17-8)12-13(7)5-9(14)15;10-9(12)7-4-6(5-11-7)8-2-1-3-13-8;1-6(2,3)9-5(8)4-7/h2*3-8,15,17H,9-11H2,1-2H3,(H2,25,32)(H,26,27,33);2*4-7H,8H2,1-3H3,(H2,15,19);3-4,8-9,15H,5-6H2,1-2H3,(H,16,17,18);2*1-4H,5H2,(H2,11,16)(H,14,15);1-4H,5H2,(H2,10,12);4H2,1-3H3/t2*15-,17+,23-;;;8-,9+,13-;;;;/m00..0..../s1
InChIKeyLUKMQLGPSRTVCD-FDEHVOEHSA-N
XLogP13.83
TPSA845.01 Ų
H-Bond Donors13
H-Bond Acceptors44
Rotatable Bonds33
Heavy Atoms184
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002789.20
LogP ≤ 513.83
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze (1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-2-[2-[3-carbamoyl-5-(furan-2-yl)pyrazol-1-yl]acetyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-2-[2-[5-carbamoyl-3-(furan-2-yl)pyrazol-1-yl]acetyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;tert-butyl 2-bromoacetate;tert-butyl 2-[3-carbamoyl-5-(furan-2-yl)pyrazol-1-yl]acetate;tert-butyl 2-[5-carbamoyl-3-(furan-2-yl)pyrazol-1-yl]acetate;2-[3-carbamoyl-5-(furan-2-yl)pyrazol-1-yl]acetic acid;2-[5-carbamoyl-3-(furan-2-yl)pyrazol-1-yl]acetic acid;3-(furan-2-yl)-2H-pyrrole-5-carboxamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-2-[2-[3-carbamoyl-5-(furan-2-yl)pyrazol-1-yl]acetyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-2-[2-[5-carbamoyl-3-(furan-2-yl)pyrazol-1-yl]acetyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;tert-butyl 2-bromoacetate;tert-butyl 2-[3-carbamoyl-5-(furan-2-yl)pyrazol-1-yl]acetate;tert-butyl 2-[5-carbamoyl-3-(furan-2-yl)pyrazol-1-yl]acetate;2-[3-carbamoyl-5-(furan-2-yl)pyrazol-1-yl]acetic acid;2-[5-carbamoyl-3-(furan-2-yl)pyrazol-1-yl]acetic acid;3-(furan-2-yl)-2H-pyrrole-5-carboxamide?
The IUPAC name of (1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-2-[2-[3-carbamoyl-5-(furan-2-yl)pyrazol-1-yl]acetyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-2-[2-[5-carbamoyl-3-(furan-2-yl)pyrazol-1-yl]acetyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;tert-butyl 2-bromoacetate;tert-butyl 2-[3-carbamoyl-5-(furan-2-yl)pyrazol-1-yl]acetate;tert-butyl 2-[5-carbamoyl-3-(furan-2-yl)pyrazol-1-yl]acetate;2-[3-carbamoyl-5-(furan-2-yl)pyrazol-1-yl]acetic acid;2-[5-carbamoyl-3-(furan-2-yl)pyrazol-1-yl]acetic acid;3-(furan-2-yl)-2H-pyrrole-5-carboxamide (CID 159459574) is (1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-2-[2-[3-carbamoyl-5-(furan-2-yl)pyrazol-1-yl]acetyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-2-[2-[5-carbamoyl-3-(furan-2-yl)pyrazol-1-yl]acetyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;tert-butyl 2-bromoacetate;tert-butyl 2-[3-carbamoyl-5-(furan-2-yl)pyrazol-1-yl]acetate;tert-butyl 2-[5-carbamoyl-3-(furan-2-yl)pyrazol-1-yl]acetate;2-[3-carbamoyl-5-(furan-2-yl)pyrazol-1-yl]acetic acid;2-[5-carbamoyl-3-(furan-2-yl)pyrazol-1-yl]acetic acid;3-(furan-2-yl)-2H-pyrrole-5-carboxamide.
What is the SMILES notation for (1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-2-[2-[3-carbamoyl-5-(furan-2-yl)pyrazol-1-yl]acetyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-2-[2-[5-carbamoyl-3-(furan-2-yl)pyrazol-1-yl]acetyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;tert-butyl 2-bromoacetate;tert-butyl 2-[3-carbamoyl-5-(furan-2-yl)pyrazol-1-yl]acetate;tert-butyl 2-[5-carbamoyl-3-(furan-2-yl)pyrazol-1-yl]acetate;2-[3-carbamoyl-5-(furan-2-yl)pyrazol-1-yl]acetic acid;2-[5-carbamoyl-3-(furan-2-yl)pyrazol-1-yl]acetic acid;3-(furan-2-yl)-2H-pyrrole-5-carboxamide?
The canonical SMILES for (1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-2-[2-[3-carbamoyl-5-(furan-2-yl)pyrazol-1-yl]acetyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-2-[2-[5-carbamoyl-3-(furan-2-yl)pyrazol-1-yl]acetyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;tert-butyl 2-bromoacetate;tert-butyl 2-[3-carbamoyl-5-(furan-2-yl)pyrazol-1-yl]acetate;tert-butyl 2-[5-carbamoyl-3-(furan-2-yl)pyrazol-1-yl]acetate;2-[3-carbamoyl-5-(furan-2-yl)pyrazol-1-yl]acetic acid;2-[5-carbamoyl-3-(furan-2-yl)pyrazol-1-yl]acetic acid;3-(furan-2-yl)-2H-pyrrole-5-carboxamide is CC(C)(C)OC(=O)CBr.CC(C)(C)OC(=O)Cn1nc(-c2ccco2)cc1C(N)=O.CC(C)(C)OC(=O)Cn1nc(C(N)=O)cc1-c1ccco1.Cc1ccc(Br)nc1NC(=O)[C@@H]1C[C@@]2(C)C[C@H]2N1.Cc1ccc(Br)nc1NC(=O)[C@@H]1C[C@@]2(C)C[C@H]2N1C(=O)Cn1nc(-c2ccco2)cc1C(N)=O.Cc1ccc(Br)nc1NC(=O)[C@@H]1C[C@@]2(C)C[C@H]2N1C(=O)Cn1nc(C(N)=O)cc1-c1ccco1.NC(=O)C1=NCC(c2ccco2)=C1.NC(=O)c1cc(-c2ccco2)n(CC(=O)O)n1.NC(=O)c1cc(-c2ccco2)nn1CC(=O)O.
What is the InChIKey of (1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-2-[2-[3-carbamoyl-5-(furan-2-yl)pyrazol-1-yl]acetyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-2-[2-[5-carbamoyl-3-(furan-2-yl)pyrazol-1-yl]acetyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;tert-butyl 2-bromoacetate;tert-butyl 2-[3-carbamoyl-5-(furan-2-yl)pyrazol-1-yl]acetate;tert-butyl 2-[5-carbamoyl-3-(furan-2-yl)pyrazol-1-yl]acetate;2-[3-carbamoyl-5-(furan-2-yl)pyrazol-1-yl]acetic acid;2-[5-carbamoyl-3-(furan-2-yl)pyrazol-1-yl]acetic acid;3-(furan-2-yl)-2H-pyrrole-5-carboxamide?
The InChIKey is LUKMQLGPSRTVCD-FDEHVOEHSA-N. The full InChI is InChI=1S/2C23H23BrN6O4.2C14H17N3O4.C13H16BrN3O.2C10H9N3O4.C9H8N2O2.C6H11BrO2/c1-12-5-6-18(24)26-21(12)27-22(33)15-9-23(2)10-17(23)30(15)19(31)11-29-14(16-4-3-7-34-16)8-13(28-29)20(25)32;1-12-5-6-18(24)26-21(12)27-22(33)15-9-23(2)10-17(23)30(15)19(31)11-29-14(20(25)32)8-13(28-29)16-4-3-7-34-16;1-14(2,3)21-12(18)8-17-10(11-5-4-6-20-11)7-9(16-17)13(15)19;1-14(2,3)21-12(18)8-17-10(13(15)19)7-9(16-17)11-5-4-6-20-11;1-7-3-4-10(14)16-11(7)17-12(18)8-5-13(2)6-9(13)15-8;11-10(16)6-4-7(8-2-1-3-17-8)13(12-6)5-9(14)15;11-10(16)7-4-6(8-2-1-3-17-8)12-13(7)5-9(14)15;10-9(12)7-4-6(5-11-7)8-2-1-3-13-8;1-6(2,3)9-5(8)4-7/h2*3-8,15,17H,9-11H2,1-2H3,(H2,25,32)(H,26,27,33);2*4-7H,8H2,1-3H3,(H2,15,19);3-4,8-9,15H,5-6H2,1-2H3,(H,16,17,18);2*1-4H,5H2,(H2,11,16)(H,14,15);1-4H,5H2,(H2,10,12);4H2,1-3H3/t2*15-,17+,23-;;;8-,9+,13-;;;;/m00..0..../s1.
What are the key properties of (1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-2-[2-[3-carbamoyl-5-(furan-2-yl)pyrazol-1-yl]acetyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-2-[2-[5-carbamoyl-3-(furan-2-yl)pyrazol-1-yl]acetyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;tert-butyl 2-bromoacetate;tert-butyl 2-[3-carbamoyl-5-(furan-2-yl)pyrazol-1-yl]acetate;tert-butyl 2-[5-carbamoyl-3-(furan-2-yl)pyrazol-1-yl]acetate;2-[3-carbamoyl-5-(furan-2-yl)pyrazol-1-yl]acetic acid;2-[5-carbamoyl-3-(furan-2-yl)pyrazol-1-yl]acetic acid;3-(furan-2-yl)-2H-pyrrole-5-carboxamide?
(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-2-[2-[3-carbamoyl-5-(furan-2-yl)pyrazol-1-yl]acetyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-2-[2-[5-carbamoyl-3-(furan-2-yl)pyrazol-1-yl]acetyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;tert-butyl 2-bromoacetate;tert-butyl 2-[3-carbamoyl-5-(furan-2-yl)pyrazol-1-yl]acetate;tert-butyl 2-[5-carbamoyl-3-(furan-2-yl)pyrazol-1-yl]acetate;2-[3-carbamoyl-5-(furan-2-yl)pyrazol-1-yl]acetic acid;2-[5-carbamoyl-3-(furan-2-yl)pyrazol-1-yl]acetic acid;3-(furan-2-yl)-2H-pyrrole-5-carboxamide has a molecular weight of 2789.20 g/mol, XLogP of 13.83, 33 rotatable bonds, 13 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-2-[2-[3-carbamoyl-5-(furan-2-yl)pyrazol-1-yl]acetyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-2-[2-[5-carbamoyl-3-(furan-2-yl)pyrazol-1-yl]acetyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;tert-butyl 2-bromoacetate;tert-butyl 2-[3-carbamoyl-5-(furan-2-yl)pyrazol-1-yl]acetate;tert-butyl 2-[5-carbamoyl-3-(furan-2-yl)pyrazol-1-yl]acetate;2-[3-carbamoyl-5-(furan-2-yl)pyrazol-1-yl]acetic acid;2-[5-carbamoyl-3-(furan-2-yl)pyrazol-1-yl]acetic acid;3-(furan-2-yl)-2H-pyrrole-5-carboxamide is sourced from PubChem (CID 159459574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).