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

C96H113Cl2N9O14 — CID 158862218

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

2-(3-acetylindazol-1-yl)acetic acid;1-[(1R,3S,5R)-2-[2-(3-acetylindazol-1-yl)acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-2-[(1R,2S)-2-phenylcyclopropyl]ethanone;1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-2-[(1R,2S)-2-phenylcyclopropyl]ethanone;tert-butyl (1R,3S,5R)-3-[2-[(1R,2S)-2-phenylcyclopropyl]acetyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;dichloromethane;(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;trans-(1S,2R)-2-phenylcyclopropan-1-amine (PubChem CID 158862218) has the molecular formula C96H113Cl2N9O14 and a molecular weight of 1687.91 g/mol. Its IUPAC name is 2-(3-acetylindazol-1-yl)acetic acid;1-[(1R,3S,5R)-2-[2-(3-acetylindazol-1-yl)acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-2-[(1R,2S)-2-phenylcyclopropyl]ethanone;1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-2-[(1R,2S)-2-phenylcyclopropyl]ethanone;tert-butyl (1R,3S,5R)-3-[2-[(1R,2S)-2-phenylcyclopropyl]acetyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;dichloromethane;(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;trans-(1S,2R)-2-phenylcyclopropan-1-amine.

Molecular Properties

• Compound Name: 2-(3-acetylindazol-1-yl)acetic acid;1-[(1R,3S,5R)-2-[2-(3-acetylindazol-1-yl)acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-2-[(1R,2S)-2-phenylcyclopropyl]ethanone;1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-2-[(1R,2S)-2-phenylcyclopropyl]ethanone;tert-butyl (1R,3S,5R)-3-[2-[(1R,2S)-2-phenylcyclopropyl]acetyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;dichloromethane;(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;trans-(1S,2R)-2-phenylcyclopropan-1-amine
• PubChem CID: 158862218
• Molecular Formula: C96H113Cl2N9O14
• Molecular Weight: 1687.91 g/mol
• Exact Mass: 1685.78
• IUPAC Name: 2-(3-acetylindazol-1-yl)acetic acid;1-[(1R,3S,5R)-2-[2-(3-acetylindazol-1-yl)acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-2-[(1R,2S)-2-phenylcyclopropyl]ethanone;1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-2-[(1R,2S)-2-phenylcyclopropyl]ethanone;tert-butyl (1R,3S,5R)-3-[2-[(1R,2S)-2-phenylcyclopropyl]acetyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;dichloromethane;(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;trans-(1S,2R)-2-phenylcyclopropan-1-amine
• SMILES: CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)C[C@H]2C[C@@H]2c2ccccc2)c2ccccc12.CC(=O)c1nn(CC(=O)O)c2ccccc12.CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)C[C@H]1C[C@@H]1c1ccccc1.CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)O.ClCCl.N[C@H]1C[C@@H]1c1ccccc1.O=C(C[C@H]1C[C@@H]1c1ccccc1)[C@@H]1C[C@H]2C[C@H]2N1
• InChI: InChI=1S/C27H27N3O3.C21H27NO3.C16H19NO.C11H10N2O3.C11H17NO4.C9H11N.CH2Cl2/c1-16(31)27-20-9-5-6-10-22(20)29(28-27)15-26(33)30-23-12-19(23)13-24(30)25(32)14-18-11-21(18)17-7-3-2-4-8-17;1-21(2,3)25-20(24)22-17-10-15(17)11-18(22)19(23)12-14-9-16(14)13-7-5-4-6-8-13;18-16(15-8-12-7-14(12)17-15)9-11-6-13(11)10-4-2-1-3-5-10;1-7(14)11-8-4-2-3-5-9(8)13(12-11)6-10(15)16;1-11(2,3)16-10(15)12-7-4-6(7)5-8(12)9(13)14;10-9-6-8(9)7-4-2-1-3-5-7;2-1-3/h2-10,18-19,21,23-24H,11-15H2,1H3;4-8,14-18H,9-12H2,1-3H3;1-5,11-15,17H,6-9H2;2-5H,6H2,1H3,(H,15,16);6-8H,4-5H2,1-3H3,(H,13,14);1-5,8-9H,6,10H2;1H2/t18-,19-,21-,23-,24+;14-,15-,16-,17-,18+;11-,12-,13-,14-,15+;;6-,7-,8+;8-,9+;/m111.11./s1
• InChIKey: JAUHEFPTWDTKLQ-TXLQXESISA-N
• XLogP: 16.35
• TPSA: 313.03 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 20
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1687.91
LogP ≤ 5	16.35
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylindazol-1-yl)acetic acid;1-[(1R,3S,5R)-2-[2-(3-acetylindazol-1-yl)acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-2-[(1R,2S)-2-phenylcyclopropyl]ethanone;1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-2-[(1R,2S)-2-phenylcyclopropyl]ethanone;tert-butyl (1R,3S,5R)-3-[2-[(1R,2S)-2-phenylcyclopropyl]acetyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;dichloromethane;(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;trans-(1S,2R)-2-phenylcyclopropan-1-amine?

The IUPAC name of 2-(3-acetylindazol-1-yl)acetic acid;1-[(1R,3S,5R)-2-[2-(3-acetylindazol-1-yl)acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-2-[(1R,2S)-2-phenylcyclopropyl]ethanone;1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-2-[(1R,2S)-2-phenylcyclopropyl]ethanone;tert-butyl (1R,3S,5R)-3-[2-[(1R,2S)-2-phenylcyclopropyl]acetyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;dichloromethane;(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;trans-(1S,2R)-2-phenylcyclopropan-1-amine (CID 158862218) is 2-(3-acetylindazol-1-yl)acetic acid;1-[(1R,3S,5R)-2-[2-(3-acetylindazol-1-yl)acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-2-[(1R,2S)-2-phenylcyclopropyl]ethanone;1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-2-[(1R,2S)-2-phenylcyclopropyl]ethanone;tert-butyl (1R,3S,5R)-3-[2-[(1R,2S)-2-phenylcyclopropyl]acetyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;dichloromethane;(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;trans-(1S,2R)-2-phenylcyclopropan-1-amine.

What is the SMILES notation for 2-(3-acetylindazol-1-yl)acetic acid;1-[(1R,3S,5R)-2-[2-(3-acetylindazol-1-yl)acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-2-[(1R,2S)-2-phenylcyclopropyl]ethanone;1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-2-[(1R,2S)-2-phenylcyclopropyl]ethanone;tert-butyl (1R,3S,5R)-3-[2-[(1R,2S)-2-phenylcyclopropyl]acetyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;dichloromethane;(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;trans-(1S,2R)-2-phenylcyclopropan-1-amine?

The canonical SMILES for 2-(3-acetylindazol-1-yl)acetic acid;1-[(1R,3S,5R)-2-[2-(3-acetylindazol-1-yl)acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-2-[(1R,2S)-2-phenylcyclopropyl]ethanone;1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-2-[(1R,2S)-2-phenylcyclopropyl]ethanone;tert-butyl (1R,3S,5R)-3-[2-[(1R,2S)-2-phenylcyclopropyl]acetyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;dichloromethane;(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;trans-(1S,2R)-2-phenylcyclopropan-1-amine is CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)C[C@H]2C[C@@H]2c2ccccc2)c2ccccc12.CC(=O)c1nn(CC(=O)O)c2ccccc12.CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)C[C@H]1C[C@@H]1c1ccccc1.CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)O.ClCCl.N[C@H]1C[C@@H]1c1ccccc1.O=C(C[C@H]1C[C@@H]1c1ccccc1)[C@@H]1C[C@H]2C[C@H]2N1.

What is the InChIKey of 2-(3-acetylindazol-1-yl)acetic acid;1-[(1R,3S,5R)-2-[2-(3-acetylindazol-1-yl)acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-2-[(1R,2S)-2-phenylcyclopropyl]ethanone;1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-2-[(1R,2S)-2-phenylcyclopropyl]ethanone;tert-butyl (1R,3S,5R)-3-[2-[(1R,2S)-2-phenylcyclopropyl]acetyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;dichloromethane;(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;trans-(1S,2R)-2-phenylcyclopropan-1-amine?

The InChIKey is JAUHEFPTWDTKLQ-TXLQXESISA-N. The full InChI is InChI=1S/C27H27N3O3.C21H27NO3.C16H19NO.C11H10N2O3.C11H17NO4.C9H11N.CH2Cl2/c1-16(31)27-20-9-5-6-10-22(20)29(28-27)15-26(33)30-23-12-19(23)13-24(30)25(32)14-18-11-21(18)17-7-3-2-4-8-17;1-21(2,3)25-20(24)22-17-10-15(17)11-18(22)19(23)12-14-9-16(14)13-7-5-4-6-8-13;18-16(15-8-12-7-14(12)17-15)9-11-6-13(11)10-4-2-1-3-5-10;1-7(14)11-8-4-2-3-5-9(8)13(12-11)6-10(15)16;1-11(2,3)16-10(15)12-7-4-6(7)5-8(12)9(13)14;10-9-6-8(9)7-4-2-1-3-5-7;2-1-3/h2-10,18-19,21,23-24H,11-15H2,1H3;4-8,14-18H,9-12H2,1-3H3;1-5,11-15,17H,6-9H2;2-5H,6H2,1H3,(H,15,16);6-8H,4-5H2,1-3H3,(H,13,14);1-5,8-9H,6,10H2;1H2/t18-,19-,21-,23-,24+;14-,15-,16-,17-,18+;11-,12-,13-,14-,15+;;6-,7-,8+;8-,9+;/m111.11./s1.

What are the key properties of 2-(3-acetylindazol-1-yl)acetic acid;1-[(1R,3S,5R)-2-[2-(3-acetylindazol-1-yl)acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-2-[(1R,2S)-2-phenylcyclopropyl]ethanone;1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-2-[(1R,2S)-2-phenylcyclopropyl]ethanone;tert-butyl (1R,3S,5R)-3-[2-[(1R,2S)-2-phenylcyclopropyl]acetyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;dichloromethane;(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;trans-(1S,2R)-2-phenylcyclopropan-1-amine?

2-(3-acetylindazol-1-yl)acetic acid;1-[(1R,3S,5R)-2-[2-(3-acetylindazol-1-yl)acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-2-[(1R,2S)-2-phenylcyclopropyl]ethanone;1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-2-[(1R,2S)-2-phenylcyclopropyl]ethanone;tert-butyl (1R,3S,5R)-3-[2-[(1R,2S)-2-phenylcyclopropyl]acetyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;dichloromethane;(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;trans-(1S,2R)-2-phenylcyclopropan-1-amine has a molecular weight of 1687.91 g/mol, XLogP of 16.35, 20 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-acetylindazol-1-yl)acetic acid;1-[(1R,3S,5R)-2-[2-(3-acetylindazol-1-yl)acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-2-[(1R,2S)-2-phenylcyclopropyl]ethanone;1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-2-[(1R,2S)-2-phenylcyclopropyl]ethanone;tert-butyl (1R,3S,5R)-3-[2-[(1R,2S)-2-phenylcyclopropyl]acetyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;dichloromethane;(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;trans-(1S,2R)-2-phenylcyclopropan-1-amine is sourced from PubChem (CID 158862218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).