6-acetyl-8-(chloromethyl)-4-hydroxy-N-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxamide;8-(chloromethyl)-6-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylmethoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylic acid;[8-(chloromethyl)-4-hydroxy-6-(5-methoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]azanide;yttrium

C71H61Cl3N9O12Y- — CID 157214523

About 6-acetyl-8-(chloromethyl)-4-hydroxy-N-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxamide;8-(chloromethyl)-6-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylmethoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylic acid;[8-(chloromethyl)-4-hydroxy-6-(5-methoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]azanide;yttrium

6-acetyl-8-(chloromethyl)-4-hydroxy-N-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxamide;8-(chloromethyl)-6-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylmethoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylic acid;[8-(chloromethyl)-4-hydroxy-6-(5-methoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]azanide;yttrium (PubChem CID 157214523) has the molecular formula C71H61Cl3N9O12Y- and a molecular weight of 1427.58 g/mol. Its IUPAC name is 6-acetyl-8-(chloromethyl)-4-hydroxy-N-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxamide;8-(chloromethyl)-6-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylmethoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylic acid;[8-(chloromethyl)-4-hydroxy-6-(5-methoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]azanide;yttrium.

Molecular Properties

• Compound Name: 6-acetyl-8-(chloromethyl)-4-hydroxy-N-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxamide;8-(chloromethyl)-6-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylmethoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylic acid;[8-(chloromethyl)-4-hydroxy-6-(5-methoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]azanide;yttrium
• PubChem CID: 157214523
• Molecular Formula: C71H61Cl3N9O12Y-
• Molecular Weight: 1427.58 g/mol
• Exact Mass: 1425.26
• IUPAC Name: 6-acetyl-8-(chloromethyl)-4-hydroxy-N-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxamide;8-(chloromethyl)-6-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylmethoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylic acid;[8-(chloromethyl)-4-hydroxy-6-(5-methoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]azanide;yttrium
• SMILES: CNC(=O)c1cc2c3c(cc(O)c2[nH]1)N(C(C)=O)CC3CCl.COc1ccc2[nH]c(C(=O)N3CC(CCl)c4c3cc(O)c3[nH]c(C([NH-])=O)cc43)cc2c1.O=C(O)c1cc2c3c(cc(OCc4ccccc4)c2[nH]1)N(C(=O)OCC1c2ccccc2-c2ccccc21)CC3CCl.[Y]
• InChI: InChI=1S/C34H27ClN2O5.C22H19ClN4O4.C15H16ClN3O3.Y/c35-16-21-17-37(34(40)42-19-27-24-12-6-4-10-22(24)23-11-5-7-13-25(23)27)29-15-30(41-18-20-8-2-1-3-9-20)32-26(31(21)29)14-28(36-32)33(38)39;1-31-12-2-3-14-10(4-12)5-16(25-14)22(30)27-9-11(8-23)19-13-6-15(21(24)29)26-20(13)18(28)7-17(19)27;1-7(20)19-6-8(5-16)13-9-3-10(15(22)17-2)18-14(9)12(21)4-11(13)19;/h1-15,21,27,36H,16-19H2,(H,38,39);2-7,11H,8-9H2,1H3,(H5,24,25,26,28,29,30);3-4,8,18,21H,5-6H2,1-2H3,(H,17,22);/p-1
• InChIKey: VNGPKINQTVUWSC-UHFFFAOYSA-M
• XLogP: 13.99
• TPSA: 299.51 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 11
• Rotatable Bonds: 13
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1427.58
LogP ≤ 5	13.99
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-8-(chloromethyl)-4-hydroxy-N-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxamide;8-(chloromethyl)-6-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylmethoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylic acid;[8-(chloromethyl)-4-hydroxy-6-(5-methoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]azanide;yttrium?

The IUPAC name of 6-acetyl-8-(chloromethyl)-4-hydroxy-N-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxamide;8-(chloromethyl)-6-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylmethoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylic acid;[8-(chloromethyl)-4-hydroxy-6-(5-methoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]azanide;yttrium (CID 157214523) is 6-acetyl-8-(chloromethyl)-4-hydroxy-N-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxamide;8-(chloromethyl)-6-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylmethoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylic acid;[8-(chloromethyl)-4-hydroxy-6-(5-methoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]azanide;yttrium.

What is the SMILES notation for 6-acetyl-8-(chloromethyl)-4-hydroxy-N-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxamide;8-(chloromethyl)-6-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylmethoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylic acid;[8-(chloromethyl)-4-hydroxy-6-(5-methoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]azanide;yttrium?

The canonical SMILES for 6-acetyl-8-(chloromethyl)-4-hydroxy-N-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxamide;8-(chloromethyl)-6-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylmethoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylic acid;[8-(chloromethyl)-4-hydroxy-6-(5-methoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]azanide;yttrium is CNC(=O)c1cc2c3c(cc(O)c2[nH]1)N(C(C)=O)CC3CCl.COc1ccc2[nH]c(C(=O)N3CC(CCl)c4c3cc(O)c3[nH]c(C([NH-])=O)cc43)cc2c1.O=C(O)c1cc2c3c(cc(OCc4ccccc4)c2[nH]1)N(C(=O)OCC1c2ccccc2-c2ccccc21)CC3CCl.[Y].

What is the InChIKey of 6-acetyl-8-(chloromethyl)-4-hydroxy-N-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxamide;8-(chloromethyl)-6-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylmethoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylic acid;[8-(chloromethyl)-4-hydroxy-6-(5-methoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]azanide;yttrium?

The InChIKey is VNGPKINQTVUWSC-UHFFFAOYSA-M. The full InChI is InChI=1S/C34H27ClN2O5.C22H19ClN4O4.C15H16ClN3O3.Y/c35-16-21-17-37(34(40)42-19-27-24-12-6-4-10-22(24)23-11-5-7-13-25(23)27)29-15-30(41-18-20-8-2-1-3-9-20)32-26(31(21)29)14-28(36-32)33(38)39;1-31-12-2-3-14-10(4-12)5-16(25-14)22(30)27-9-11(8-23)19-13-6-15(21(24)29)26-20(13)18(28)7-17(19)27;1-7(20)19-6-8(5-16)13-9-3-10(15(22)17-2)18-14(9)12(21)4-11(13)19;/h1-15,21,27,36H,16-19H2,(H,38,39);2-7,11H,8-9H2,1H3,(H5,24,25,26,28,29,30);3-4,8,18,21H,5-6H2,1-2H3,(H,17,22);/p-1.

What are the key properties of 6-acetyl-8-(chloromethyl)-4-hydroxy-N-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxamide;8-(chloromethyl)-6-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylmethoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylic acid;[8-(chloromethyl)-4-hydroxy-6-(5-methoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]azanide;yttrium?

6-acetyl-8-(chloromethyl)-4-hydroxy-N-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxamide;8-(chloromethyl)-6-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylmethoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylic acid;[8-(chloromethyl)-4-hydroxy-6-(5-methoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]azanide;yttrium has a molecular weight of 1427.58 g/mol, XLogP of 13.99, 13 rotatable bonds, 8 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-acetyl-8-(chloromethyl)-4-hydroxy-N-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxamide;8-(chloromethyl)-6-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylmethoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylic acid;[8-(chloromethyl)-4-hydroxy-6-(5-methoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]azanide;yttrium is sourced from PubChem (CID 157214523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).