1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-2-(2-fluoro-2-phenylcyclopropyl)ethanone;tert-butyl (1R,3S,5R)-3-[2-(2-fluoro-2-phenylcyclopropyl)acetyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;2-(3-carbamoylindazol-1-yl)acetic acid;dichloromethane;2-fluoro-2-phenylcyclopropan-1-amine;1-[2-[(1R,3S,5R)-3-[2-[(1R,2S)-2-fluoro-2-phenylcyclopropyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(1R,3S,5R)-3-[2-[(1S,2R)-2-fluoro-2-phenylcyclopropyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(1R,3S,5R)-3-[2-(2-fluoro-2-phenylcyclopropyl)acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid

C146H157Cl2F6N19O20 — CID 158821351

IUPAC1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-2-(2-fluoro-2-phenylcyclopropyl)ethanone;tert-butyl (1R,3S,5R)-3-[2-(2-fluoro-2-phenylcyclopropyl)acetyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;2-(3-carbamoylindazol-1-yl)acetic acid;dichloromethane;2-fluoro-2-phenylcyclopropan-1-amine;1-[2-[(1R,3S,5R)-3-[2-[(1R,2S)-2-fluoro-2-phenylcyclopropyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(1R,3S,5R)-3-[2-[(1S,2R)-2-fluoro-2-phenylcyclopropyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(1R,3S,5R)-3-[2-(2-fluoro-2-phenylcyclopropyl)acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)CC1CC1(F)c1ccccc1.CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)O.ClCCl.NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)CC2CC2(F)c2ccccc2)c2ccccc12.NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)C[C@@H]2C[C@@]2(F)c2ccccc2)c2ccccc12.NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)C[C@H]2C[C@]2(F)c2ccccc2)c2ccccc12.NC(=O)c1nn(CC(=O)O)c2ccccc12.NC1CC1(F)c1ccccc1.O=C(CC1CC1(F)c1ccccc1)[C@@H]1C[C@H]2C[C@H]2N1
InChIInChI=1S/3C26H25FN4O3.C21H26FNO3.C16H18FNO.C11H17NO4.C10H9N3O3.C9H10FN.CH2Cl2/c3*27-26(16-6-2-1-3-7-16)13-17(26)12-22(32)21-11-15-10-20(15)31(21)23(33)14-30-19-9-5-4-8-18(19)24(29-30)25(28)34;1-20(2,3)26-19(25)23-16-9-13(16)10-17(23)18(24)11-15-12-21(15,22)14-7-5-4-6-8-14;17-16(11-4-2-1-3-5-11)9-12(16)8-15(19)14-7-10-6-13(10)18-14;1-11(2,3)16-10(15)12-7-4-6(7)5-8(12)9(13)14;11-10(16)9-6-3-1-2-4-7(6)13(12-9)5-8(14)15;10-9(6-8(9)11)7-4-2-1-3-5-7;2-1-3/h3*1-9,15,17,20-21H,10-14H2,(H2,28,34);4-8,13,15-17H,9-12H2,1-3H3;1-5,10,12-14,18H,6-9H2;6-8H,4-5H2,1-3H3,(H,13,14);1-4H,5H2,(H2,11,16)(H,14,15);1-5,8H,6,11H2;1H2/t15-,17?,20-,21+,26?;15-,17+,20-,21+,26+;15-,17-,20-,21+,26-;13-,15?,16-,17+,21?;10-,12?,13-,14+,16?;6-,7-,8+;;;/m111111.../s1
InChIKeyIVXIEDRELOYYMZ-ZBBMWFJSSA-N
MW2682.87 g/mol
LogP20.41
Rot. Bonds34

About 1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-2-(2-fluoro-2-phenylcyclopropyl)ethanone;tert-butyl (1R,3S,5R)-3-[2-(2-fluoro-2-phenylcyclopropyl)acetyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;2-(3-carbamoylindazol-1-yl)acetic acid;dichloromethane;2-fluoro-2-phenylcyclopropan-1-amine;1-[2-[(1R,3S,5R)-3-[2-[(1R,2S)-2-fluoro-2-phenylcyclopropyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(1R,3S,5R)-3-[2-[(1S,2R)-2-fluoro-2-phenylcyclopropyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(1R,3S,5R)-3-[2-(2-fluoro-2-phenylcyclopropyl)acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid

1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-2-(2-fluoro-2-phenylcyclopropyl)ethanone;tert-butyl (1R,3S,5R)-3-[2-(2-fluoro-2-phenylcyclopropyl)acetyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;2-(3-carbamoylindazol-1-yl)acetic acid;dichloromethane;2-fluoro-2-phenylcyclopropan-1-amine;1-[2-[(1R,3S,5R)-3-[2-[(1R,2S)-2-fluoro-2-phenylcyclopropyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(1R,3S,5R)-3-[2-[(1S,2R)-2-fluoro-2-phenylcyclopropyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(1R,3S,5R)-3-[2-(2-fluoro-2-phenylcyclopropyl)acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid (PubChem CID 158821351) has the molecular formula C146H157Cl2F6N19O20 and a molecular weight of 2682.87 g/mol. Its IUPAC name is 1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-2-(2-fluoro-2-phenylcyclopropyl)ethanone;tert-butyl (1R,3S,5R)-3-[2-(2-fluoro-2-phenylcyclopropyl)acetyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;2-(3-carbamoylindazol-1-yl)acetic acid;dichloromethane;2-fluoro-2-phenylcyclopropan-1-amine;1-[2-[(1R,3S,5R)-3-[2-[(1R,2S)-2-fluoro-2-phenylcyclopropyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(1R,3S,5R)-3-[2-[(1S,2R)-2-fluoro-2-phenylcyclopropyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(1R,3S,5R)-3-[2-(2-fluoro-2-phenylcyclopropyl)acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid.

Molecular Properties

Compound Name1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-2-(2-fluoro-2-phenylcyclopropyl)ethanone;tert-butyl (1R,3S,5R)-3-[2-(2-fluoro-2-phenylcyclopropyl)acetyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;2-(3-carbamoylindazol-1-yl)acetic acid;dichloromethane;2-fluoro-2-phenylcyclopropan-1-amine;1-[2-[(1R,3S,5R)-3-[2-[(1R,2S)-2-fluoro-2-phenylcyclopropyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(1R,3S,5R)-3-[2-[(1S,2R)-2-fluoro-2-phenylcyclopropyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(1R,3S,5R)-3-[2-(2-fluoro-2-phenylcyclopropyl)acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid
PubChem CID158821351
Molecular FormulaC146H157Cl2F6N19O20
Molecular Weight2682.87 g/mol
Exact Mass2680.11
IUPAC Name1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-2-(2-fluoro-2-phenylcyclopropyl)ethanone;tert-butyl (1R,3S,5R)-3-[2-(2-fluoro-2-phenylcyclopropyl)acetyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;2-(3-carbamoylindazol-1-yl)acetic acid;dichloromethane;2-fluoro-2-phenylcyclopropan-1-amine;1-[2-[(1R,3S,5R)-3-[2-[(1R,2S)-2-fluoro-2-phenylcyclopropyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(1R,3S,5R)-3-[2-[(1S,2R)-2-fluoro-2-phenylcyclopropyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(1R,3S,5R)-3-[2-(2-fluoro-2-phenylcyclopropyl)acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)CC1CC1(F)c1ccccc1.CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)O.ClCCl.NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)CC2CC2(F)c2ccccc2)c2ccccc12.NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)C[C@@H]2C[C@@]2(F)c2ccccc2)c2ccccc12.NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)C[C@H]2C[C@]2(F)c2ccccc2)c2ccccc12.NC(=O)c1nn(CC(=O)O)c2ccccc12.NC1CC1(F)c1ccccc1.O=C(CC1CC1(F)c1ccccc1)[C@@H]1C[C@H]2C[C@H]2N1
InChIInChI=1S/3C26H25FN4O3.C21H26FNO3.C16H18FNO.C11H17NO4.C10H9N3O3.C9H10FN.CH2Cl2/c3*27-26(16-6-2-1-3-7-16)13-17(26)12-22(32)21-11-15-10-20(15)31(21)23(33)14-30-19-9-5-4-8-18(19)24(29-30)25(28)34;1-20(2,3)26-19(25)23-16-9-13(16)10-17(23)18(24)11-15-12-21(15,22)14-7-5-4-6-8-14;17-16(11-4-2-1-3-5-11)9-12(16)8-15(19)14-7-10-6-13(10)18-14;1-11(2,3)16-10(15)12-7-4-6(7)5-8(12)9(13)14;11-10(16)9-6-3-1-2-4-7(6)13(12-9)5-8(14)15;10-9(6-8(9)11)7-4-2-1-3-5-7;2-1-3/h3*1-9,15,17,20-21H,10-14H2,(H2,28,34);4-8,13,15-17H,9-12H2,1-3H3;1-5,10,12-14,18H,6-9H2;6-8H,4-5H2,1-3H3,(H,13,14);1-4H,5H2,(H2,11,16)(H,14,15);1-5,8H,6,11H2;1H2/t15-,17?,20-,21+,26?;15-,17+,20-,21+,26+;15-,17-,20-,21+,26-;13-,15?,16-,17+,21?;10-,12?,13-,14+,16?;6-,7-,8+;;;/m111111.../s1
InChIKeyIVXIEDRELOYYMZ-ZBBMWFJSSA-N
XLogP20.41
TPSA561.65 Ų
H-Bond Donors8
H-Bond Acceptors28
Rotatable Bonds34
Heavy Atoms193
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002682.87
LogP ≤ 520.41
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-2-(2-fluoro-2-phenylcyclopropyl)ethanone;tert-butyl (1R,3S,5R)-3-[2-(2-fluoro-2-phenylcyclopropyl)acetyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;2-(3-carbamoylindazol-1-yl)acetic acid;dichloromethane;2-fluoro-2-phenylcyclopropan-1-amine;1-[2-[(1R,3S,5R)-3-[2-[(1R,2S)-2-fluoro-2-phenylcyclopropyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(1R,3S,5R)-3-[2-[(1S,2R)-2-fluoro-2-phenylcyclopropyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(1R,3S,5R)-3-[2-(2-fluoro-2-phenylcyclopropyl)acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-2-(2-fluoro-2-phenylcyclopropyl)ethanone;tert-butyl (1R,3S,5R)-3-[2-(2-fluoro-2-phenylcyclopropyl)acetyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;2-(3-carbamoylindazol-1-yl)acetic acid;dichloromethane;2-fluoro-2-phenylcyclopropan-1-amine;1-[2-[(1R,3S,5R)-3-[2-[(1R,2S)-2-fluoro-2-phenylcyclopropyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(1R,3S,5R)-3-[2-[(1S,2R)-2-fluoro-2-phenylcyclopropyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(1R,3S,5R)-3-[2-(2-fluoro-2-phenylcyclopropyl)acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid?
The IUPAC name of 1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-2-(2-fluoro-2-phenylcyclopropyl)ethanone;tert-butyl (1R,3S,5R)-3-[2-(2-fluoro-2-phenylcyclopropyl)acetyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;2-(3-carbamoylindazol-1-yl)acetic acid;dichloromethane;2-fluoro-2-phenylcyclopropan-1-amine;1-[2-[(1R,3S,5R)-3-[2-[(1R,2S)-2-fluoro-2-phenylcyclopropyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(1R,3S,5R)-3-[2-[(1S,2R)-2-fluoro-2-phenylcyclopropyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(1R,3S,5R)-3-[2-(2-fluoro-2-phenylcyclopropyl)acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid (CID 158821351) is 1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-2-(2-fluoro-2-phenylcyclopropyl)ethanone;tert-butyl (1R,3S,5R)-3-[2-(2-fluoro-2-phenylcyclopropyl)acetyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;2-(3-carbamoylindazol-1-yl)acetic acid;dichloromethane;2-fluoro-2-phenylcyclopropan-1-amine;1-[2-[(1R,3S,5R)-3-[2-[(1R,2S)-2-fluoro-2-phenylcyclopropyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(1R,3S,5R)-3-[2-[(1S,2R)-2-fluoro-2-phenylcyclopropyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(1R,3S,5R)-3-[2-(2-fluoro-2-phenylcyclopropyl)acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid.
What is the SMILES notation for 1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-2-(2-fluoro-2-phenylcyclopropyl)ethanone;tert-butyl (1R,3S,5R)-3-[2-(2-fluoro-2-phenylcyclopropyl)acetyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;2-(3-carbamoylindazol-1-yl)acetic acid;dichloromethane;2-fluoro-2-phenylcyclopropan-1-amine;1-[2-[(1R,3S,5R)-3-[2-[(1R,2S)-2-fluoro-2-phenylcyclopropyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(1R,3S,5R)-3-[2-[(1S,2R)-2-fluoro-2-phenylcyclopropyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(1R,3S,5R)-3-[2-(2-fluoro-2-phenylcyclopropyl)acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid?
The canonical SMILES for 1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-2-(2-fluoro-2-phenylcyclopropyl)ethanone;tert-butyl (1R,3S,5R)-3-[2-(2-fluoro-2-phenylcyclopropyl)acetyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;2-(3-carbamoylindazol-1-yl)acetic acid;dichloromethane;2-fluoro-2-phenylcyclopropan-1-amine;1-[2-[(1R,3S,5R)-3-[2-[(1R,2S)-2-fluoro-2-phenylcyclopropyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(1R,3S,5R)-3-[2-[(1S,2R)-2-fluoro-2-phenylcyclopropyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(1R,3S,5R)-3-[2-(2-fluoro-2-phenylcyclopropyl)acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid is CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)CC1CC1(F)c1ccccc1.CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)O.ClCCl.NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)CC2CC2(F)c2ccccc2)c2ccccc12.NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)C[C@@H]2C[C@@]2(F)c2ccccc2)c2ccccc12.NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)C[C@H]2C[C@]2(F)c2ccccc2)c2ccccc12.NC(=O)c1nn(CC(=O)O)c2ccccc12.NC1CC1(F)c1ccccc1.O=C(CC1CC1(F)c1ccccc1)[C@@H]1C[C@H]2C[C@H]2N1.
What is the InChIKey of 1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-2-(2-fluoro-2-phenylcyclopropyl)ethanone;tert-butyl (1R,3S,5R)-3-[2-(2-fluoro-2-phenylcyclopropyl)acetyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;2-(3-carbamoylindazol-1-yl)acetic acid;dichloromethane;2-fluoro-2-phenylcyclopropan-1-amine;1-[2-[(1R,3S,5R)-3-[2-[(1R,2S)-2-fluoro-2-phenylcyclopropyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(1R,3S,5R)-3-[2-[(1S,2R)-2-fluoro-2-phenylcyclopropyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(1R,3S,5R)-3-[2-(2-fluoro-2-phenylcyclopropyl)acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid?
The InChIKey is IVXIEDRELOYYMZ-ZBBMWFJSSA-N. The full InChI is InChI=1S/3C26H25FN4O3.C21H26FNO3.C16H18FNO.C11H17NO4.C10H9N3O3.C9H10FN.CH2Cl2/c3*27-26(16-6-2-1-3-7-16)13-17(26)12-22(32)21-11-15-10-20(15)31(21)23(33)14-30-19-9-5-4-8-18(19)24(29-30)25(28)34;1-20(2,3)26-19(25)23-16-9-13(16)10-17(23)18(24)11-15-12-21(15,22)14-7-5-4-6-8-14;17-16(11-4-2-1-3-5-11)9-12(16)8-15(19)14-7-10-6-13(10)18-14;1-11(2,3)16-10(15)12-7-4-6(7)5-8(12)9(13)14;11-10(16)9-6-3-1-2-4-7(6)13(12-9)5-8(14)15;10-9(6-8(9)11)7-4-2-1-3-5-7;2-1-3/h3*1-9,15,17,20-21H,10-14H2,(H2,28,34);4-8,13,15-17H,9-12H2,1-3H3;1-5,10,12-14,18H,6-9H2;6-8H,4-5H2,1-3H3,(H,13,14);1-4H,5H2,(H2,11,16)(H,14,15);1-5,8H,6,11H2;1H2/t15-,17?,20-,21+,26?;15-,17+,20-,21+,26+;15-,17-,20-,21+,26-;13-,15?,16-,17+,21?;10-,12?,13-,14+,16?;6-,7-,8+;;;/m111111.../s1.
What are the key properties of 1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-2-(2-fluoro-2-phenylcyclopropyl)ethanone;tert-butyl (1R,3S,5R)-3-[2-(2-fluoro-2-phenylcyclopropyl)acetyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;2-(3-carbamoylindazol-1-yl)acetic acid;dichloromethane;2-fluoro-2-phenylcyclopropan-1-amine;1-[2-[(1R,3S,5R)-3-[2-[(1R,2S)-2-fluoro-2-phenylcyclopropyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(1R,3S,5R)-3-[2-[(1S,2R)-2-fluoro-2-phenylcyclopropyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(1R,3S,5R)-3-[2-(2-fluoro-2-phenylcyclopropyl)acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid?
1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-2-(2-fluoro-2-phenylcyclopropyl)ethanone;tert-butyl (1R,3S,5R)-3-[2-(2-fluoro-2-phenylcyclopropyl)acetyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;2-(3-carbamoylindazol-1-yl)acetic acid;dichloromethane;2-fluoro-2-phenylcyclopropan-1-amine;1-[2-[(1R,3S,5R)-3-[2-[(1R,2S)-2-fluoro-2-phenylcyclopropyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(1R,3S,5R)-3-[2-[(1S,2R)-2-fluoro-2-phenylcyclopropyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(1R,3S,5R)-3-[2-(2-fluoro-2-phenylcyclopropyl)acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid has a molecular weight of 2682.87 g/mol, XLogP of 20.41, 34 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-2-(2-fluoro-2-phenylcyclopropyl)ethanone;tert-butyl (1R,3S,5R)-3-[2-(2-fluoro-2-phenylcyclopropyl)acetyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;2-(3-carbamoylindazol-1-yl)acetic acid;dichloromethane;2-fluoro-2-phenylcyclopropan-1-amine;1-[2-[(1R,3S,5R)-3-[2-[(1R,2S)-2-fluoro-2-phenylcyclopropyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(1R,3S,5R)-3-[2-[(1S,2R)-2-fluoro-2-phenylcyclopropyl]acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(1R,3S,5R)-3-[2-(2-fluoro-2-phenylcyclopropyl)acetyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid is sourced from PubChem (CID 158821351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).