N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]-6-(6,7-dichloro-1H-indole-2-carbonyl)-6-azaspiro[3.4]octane-7-carboxamide;tert-butyl 7-[[(2S)-1-methoxy-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]carbamoyl]-6-azaspiro[3.4]octane-6-carboxylate;N-[(1S)-1-cyano-2-[(1S)-2-oxocyclopentyl]ethyl]-6-(6,7-dichloro-1H-indole-2-carbonyl)-6-azaspiro[3.4]octane-7-carboxamide;6,7-dichloro-1H-indole-2-carboxylic acid;methyl (2S)-2-[[6-(6,7-dichloro-1H-indole-2-carbonyl)-6-azaspiro[3.4]octane-7-carbonyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate;methyl (2S)-3-[(1S)-2-oxocyclopentyl]-2-(spiro[3.4]octane-7-carbonylamino)propanoate;hydrochloride

C125H150Cl9N15O24 — CID 163529050

About N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]-6-(6,7-dichloro-1H-indole-2-carbonyl)-6-azaspiro[3.4]octane-7-carboxamide;tert-butyl 7-[[(2S)-1-methoxy-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]carbamoyl]-6-azaspiro[3.4]octane-6-carboxylate;N-[(1S)-1-cyano-2-[(1S)-2-oxocyclopentyl]ethyl]-6-(6,7-dichloro-1H-indole-2-carbonyl)-6-azaspiro[3.4]octane-7-carboxamide;6,7-dichloro-1H-indole-2-carboxylic acid;methyl (2S)-2-[[6-(6,7-dichloro-1H-indole-2-carbonyl)-6-azaspiro[3.4]octane-7-carbonyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate;methyl (2S)-3-[(1S)-2-oxocyclopentyl]-2-(spiro[3.4]octane-7-carbonylamino)propanoate;hydrochloride

N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]-6-(6,7-dichloro-1H-indole-2-carbonyl)-6-azaspiro[3.4]octane-7-carboxamide;tert-butyl 7-[[(2S)-1-methoxy-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]carbamoyl]-6-azaspiro[3.4]octane-6-carboxylate;N-[(1S)-1-cyano-2-[(1S)-2-oxocyclopentyl]ethyl]-6-(6,7-dichloro-1H-indole-2-carbonyl)-6-azaspiro[3.4]octane-7-carboxamide;6,7-dichloro-1H-indole-2-carboxylic acid;methyl (2S)-2-[[6-(6,7-dichloro-1H-indole-2-carbonyl)-6-azaspiro[3.4]octane-7-carbonyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate;methyl (2S)-3-[(1S)-2-oxocyclopentyl]-2-(spiro[3.4]octane-7-carbonylamino)propanoate;hydrochloride (PubChem CID 163529050) has the molecular formula C125H150Cl9N15O24 and a molecular weight of 2565.73 g/mol. Its IUPAC name is N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]-6-(6,7-dichloro-1H-indole-2-carbonyl)-6-azaspiro[3.4]octane-7-carboxamide;tert-butyl 7-[[(2S)-1-methoxy-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]carbamoyl]-6-azaspiro[3.4]octane-6-carboxylate;N-[(1S)-1-cyano-2-[(1S)-2-oxocyclopentyl]ethyl]-6-(6,7-dichloro-1H-indole-2-carbonyl)-6-azaspiro[3.4]octane-7-carboxamide;6,7-dichloro-1H-indole-2-carboxylic acid;methyl (2S)-2-[[6-(6,7-dichloro-1H-indole-2-carbonyl)-6-azaspiro[3.4]octane-7-carbonyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate;methyl (2S)-3-[(1S)-2-oxocyclopentyl]-2-(spiro[3.4]octane-7-carbonylamino)propanoate;hydrochloride.

Molecular Properties

• Compound Name: N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]-6-(6,7-dichloro-1H-indole-2-carbonyl)-6-azaspiro[3.4]octane-7-carboxamide;tert-butyl 7-[[(2S)-1-methoxy-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]carbamoyl]-6-azaspiro[3.4]octane-6-carboxylate;N-[(1S)-1-cyano-2-[(1S)-2-oxocyclopentyl]ethyl]-6-(6,7-dichloro-1H-indole-2-carbonyl)-6-azaspiro[3.4]octane-7-carboxamide;6,7-dichloro-1H-indole-2-carboxylic acid;methyl (2S)-2-[[6-(6,7-dichloro-1H-indole-2-carbonyl)-6-azaspiro[3.4]octane-7-carbonyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate;methyl (2S)-3-[(1S)-2-oxocyclopentyl]-2-(spiro[3.4]octane-7-carbonylamino)propanoate;hydrochloride
• PubChem CID: 163529050
• Molecular Formula: C125H150Cl9N15O24
• Molecular Weight: 2565.73 g/mol
• Exact Mass: 2559.82
• IUPAC Name: N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]-6-(6,7-dichloro-1H-indole-2-carbonyl)-6-azaspiro[3.4]octane-7-carboxamide;tert-butyl 7-[[(2S)-1-methoxy-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]carbamoyl]-6-azaspiro[3.4]octane-6-carboxylate;N-[(1S)-1-cyano-2-[(1S)-2-oxocyclopentyl]ethyl]-6-(6,7-dichloro-1H-indole-2-carbonyl)-6-azaspiro[3.4]octane-7-carboxamide;6,7-dichloro-1H-indole-2-carboxylic acid;methyl (2S)-2-[[6-(6,7-dichloro-1H-indole-2-carbonyl)-6-azaspiro[3.4]octane-7-carbonyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate;methyl (2S)-3-[(1S)-2-oxocyclopentyl]-2-(spiro[3.4]octane-7-carbonylamino)propanoate;hydrochloride
• SMILES: COC(=O)[C@H](C[C@@H]1CCCC1=O)NC(=O)C1CC2(CCC2)CN1C(=O)OC(C)(C)C.COC(=O)[C@H](C[C@@H]1CCCC1=O)NC(=O)C1CC2(CCC2)CN1C(=O)c1cc2ccc(Cl)c(Cl)c2[nH]1.COC(=O)[C@H](C[C@@H]1CCCC1=O)NC(=O)C1CCC2(CCC2)C1.Cl.N#C[C@H](C[C@@H]1CCCC1=O)NC(=O)C1CC2(CCC2)CN1C(=O)c1cc2ccc(Cl)c(Cl)c2[nH]1.NC(=O)[C@H](C[C@@H]1CCCC1=O)NC(=O)C1CC2(CCC2)CN1C(=O)c1cc2ccc(Cl)c(Cl)c2[nH]1.O=C(O)c1cc2ccc(Cl)c(Cl)c2[nH]1
• InChI: InChI=1S/C26H29Cl2N3O5.C25H28Cl2N4O4.C25H26Cl2N4O3.C22H34N2O6.C18H27NO4.C9H5Cl2NO2.ClH/c1-36-25(35)18(10-14-4-2-5-20(14)32)30-23(33)19-12-26(8-3-9-26)13-31(19)24(34)17-11-15-6-7-16(27)21(28)22(15)29-17;26-15-6-5-14-10-17(29-21(14)20(15)27)24(35)31-12-25(7-2-8-25)11-18(31)23(34)30-16(22(28)33)9-13-3-1-4-19(13)32;26-17-6-5-15-10-18(30-22(15)21(17)27)24(34)31-13-25(7-2-8-25)11-19(31)23(33)29-16(12-28)9-14-3-1-4-20(14)32;1-21(2,3)30-20(28)24-13-22(9-6-10-22)12-16(24)18(26)23-15(19(27)29-4)11-14-7-5-8-17(14)25;1-23-17(22)14(10-12-4-2-5-15(12)20)19-16(21)13-6-9-18(11-13)7-3-8-18;10-5-2-1-4-3-6(9(13)14)12-8(4)7(5)11;/h6-7,11,14,18-19,29H,2-5,8-10,12-13H2,1H3,(H,30,33);5-6,10,13,16,18,29H,1-4,7-9,11-12H2,(H2,28,33)(H,30,34);5-6,10,14,16,19,30H,1-4,7-9,11,13H2,(H,29,33);14-16H,5-13H2,1-4H3,(H,23,26);12-14H,2-11H2,1H3,(H,19,21);1-3,12H,(H,13,14);1H/t14-,18-,19?;13-,16-,18?;14-,16-,19?;14-,15-,16?;12-,13?,14-;;/m00000../s1
• InChIKey: MUGCQZDHVYUNOD-SYPJYRGKSA-N
• XLogP: 21.04
• TPSA: 567.56 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 24
• Rotatable Bonds: 28
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2565.73
LogP ≤ 5	21.04
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]-6-(6,7-dichloro-1H-indole-2-carbonyl)-6-azaspiro[3.4]octane-7-carboxamide;tert-butyl 7-[[(2S)-1-methoxy-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]carbamoyl]-6-azaspiro[3.4]octane-6-carboxylate;N-[(1S)-1-cyano-2-[(1S)-2-oxocyclopentyl]ethyl]-6-(6,7-dichloro-1H-indole-2-carbonyl)-6-azaspiro[3.4]octane-7-carboxamide;6,7-dichloro-1H-indole-2-carboxylic acid;methyl (2S)-2-[[6-(6,7-dichloro-1H-indole-2-carbonyl)-6-azaspiro[3.4]octane-7-carbonyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate;methyl (2S)-3-[(1S)-2-oxocyclopentyl]-2-(spiro[3.4]octane-7-carbonylamino)propanoate;hydrochloride?

The IUPAC name of N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]-6-(6,7-dichloro-1H-indole-2-carbonyl)-6-azaspiro[3.4]octane-7-carboxamide;tert-butyl 7-[[(2S)-1-methoxy-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]carbamoyl]-6-azaspiro[3.4]octane-6-carboxylate;N-[(1S)-1-cyano-2-[(1S)-2-oxocyclopentyl]ethyl]-6-(6,7-dichloro-1H-indole-2-carbonyl)-6-azaspiro[3.4]octane-7-carboxamide;6,7-dichloro-1H-indole-2-carboxylic acid;methyl (2S)-2-[[6-(6,7-dichloro-1H-indole-2-carbonyl)-6-azaspiro[3.4]octane-7-carbonyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate;methyl (2S)-3-[(1S)-2-oxocyclopentyl]-2-(spiro[3.4]octane-7-carbonylamino)propanoate;hydrochloride (CID 163529050) is N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]-6-(6,7-dichloro-1H-indole-2-carbonyl)-6-azaspiro[3.4]octane-7-carboxamide;tert-butyl 7-[[(2S)-1-methoxy-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]carbamoyl]-6-azaspiro[3.4]octane-6-carboxylate;N-[(1S)-1-cyano-2-[(1S)-2-oxocyclopentyl]ethyl]-6-(6,7-dichloro-1H-indole-2-carbonyl)-6-azaspiro[3.4]octane-7-carboxamide;6,7-dichloro-1H-indole-2-carboxylic acid;methyl (2S)-2-[[6-(6,7-dichloro-1H-indole-2-carbonyl)-6-azaspiro[3.4]octane-7-carbonyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate;methyl (2S)-3-[(1S)-2-oxocyclopentyl]-2-(spiro[3.4]octane-7-carbonylamino)propanoate;hydrochloride.

What is the SMILES notation for N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]-6-(6,7-dichloro-1H-indole-2-carbonyl)-6-azaspiro[3.4]octane-7-carboxamide;tert-butyl 7-[[(2S)-1-methoxy-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]carbamoyl]-6-azaspiro[3.4]octane-6-carboxylate;N-[(1S)-1-cyano-2-[(1S)-2-oxocyclopentyl]ethyl]-6-(6,7-dichloro-1H-indole-2-carbonyl)-6-azaspiro[3.4]octane-7-carboxamide;6,7-dichloro-1H-indole-2-carboxylic acid;methyl (2S)-2-[[6-(6,7-dichloro-1H-indole-2-carbonyl)-6-azaspiro[3.4]octane-7-carbonyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate;methyl (2S)-3-[(1S)-2-oxocyclopentyl]-2-(spiro[3.4]octane-7-carbonylamino)propanoate;hydrochloride?

The canonical SMILES for N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]-6-(6,7-dichloro-1H-indole-2-carbonyl)-6-azaspiro[3.4]octane-7-carboxamide;tert-butyl 7-[[(2S)-1-methoxy-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]carbamoyl]-6-azaspiro[3.4]octane-6-carboxylate;N-[(1S)-1-cyano-2-[(1S)-2-oxocyclopentyl]ethyl]-6-(6,7-dichloro-1H-indole-2-carbonyl)-6-azaspiro[3.4]octane-7-carboxamide;6,7-dichloro-1H-indole-2-carboxylic acid;methyl (2S)-2-[[6-(6,7-dichloro-1H-indole-2-carbonyl)-6-azaspiro[3.4]octane-7-carbonyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate;methyl (2S)-3-[(1S)-2-oxocyclopentyl]-2-(spiro[3.4]octane-7-carbonylamino)propanoate;hydrochloride is COC(=O)[C@H](C[C@@H]1CCCC1=O)NC(=O)C1CC2(CCC2)CN1C(=O)OC(C)(C)C.COC(=O)[C@H](C[C@@H]1CCCC1=O)NC(=O)C1CC2(CCC2)CN1C(=O)c1cc2ccc(Cl)c(Cl)c2[nH]1.COC(=O)[C@H](C[C@@H]1CCCC1=O)NC(=O)C1CCC2(CCC2)C1.Cl.N#C[C@H](C[C@@H]1CCCC1=O)NC(=O)C1CC2(CCC2)CN1C(=O)c1cc2ccc(Cl)c(Cl)c2[nH]1.NC(=O)[C@H](C[C@@H]1CCCC1=O)NC(=O)C1CC2(CCC2)CN1C(=O)c1cc2ccc(Cl)c(Cl)c2[nH]1.O=C(O)c1cc2ccc(Cl)c(Cl)c2[nH]1.

What is the InChIKey of N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]-6-(6,7-dichloro-1H-indole-2-carbonyl)-6-azaspiro[3.4]octane-7-carboxamide;tert-butyl 7-[[(2S)-1-methoxy-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]carbamoyl]-6-azaspiro[3.4]octane-6-carboxylate;N-[(1S)-1-cyano-2-[(1S)-2-oxocyclopentyl]ethyl]-6-(6,7-dichloro-1H-indole-2-carbonyl)-6-azaspiro[3.4]octane-7-carboxamide;6,7-dichloro-1H-indole-2-carboxylic acid;methyl (2S)-2-[[6-(6,7-dichloro-1H-indole-2-carbonyl)-6-azaspiro[3.4]octane-7-carbonyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate;methyl (2S)-3-[(1S)-2-oxocyclopentyl]-2-(spiro[3.4]octane-7-carbonylamino)propanoate;hydrochloride?

The InChIKey is MUGCQZDHVYUNOD-SYPJYRGKSA-N. The full InChI is InChI=1S/C26H29Cl2N3O5.C25H28Cl2N4O4.C25H26Cl2N4O3.C22H34N2O6.C18H27NO4.C9H5Cl2NO2.ClH/c1-36-25(35)18(10-14-4-2-5-20(14)32)30-23(33)19-12-26(8-3-9-26)13-31(19)24(34)17-11-15-6-7-16(27)21(28)22(15)29-17;26-15-6-5-14-10-17(29-21(14)20(15)27)24(35)31-12-25(7-2-8-25)11-18(31)23(34)30-16(22(28)33)9-13-3-1-4-19(13)32;26-17-6-5-15-10-18(30-22(15)21(17)27)24(34)31-13-25(7-2-8-25)11-19(31)23(33)29-16(12-28)9-14-3-1-4-20(14)32;1-21(2,3)30-20(28)24-13-22(9-6-10-22)12-16(24)18(26)23-15(19(27)29-4)11-14-7-5-8-17(14)25;1-23-17(22)14(10-12-4-2-5-15(12)20)19-16(21)13-6-9-18(11-13)7-3-8-18;10-5-2-1-4-3-6(9(13)14)12-8(4)7(5)11;/h6-7,11,14,18-19,29H,2-5,8-10,12-13H2,1H3,(H,30,33);5-6,10,13,16,18,29H,1-4,7-9,11-12H2,(H2,28,33)(H,30,34);5-6,10,14,16,19,30H,1-4,7-9,11,13H2,(H,29,33);14-16H,5-13H2,1-4H3,(H,23,26);12-14H,2-11H2,1H3,(H,19,21);1-3,12H,(H,13,14);1H/t14-,18-,19?;13-,16-,18?;14-,16-,19?;14-,15-,16?;12-,13?,14-;;/m00000../s1.

What are the key properties of N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]-6-(6,7-dichloro-1H-indole-2-carbonyl)-6-azaspiro[3.4]octane-7-carboxamide;tert-butyl 7-[[(2S)-1-methoxy-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]carbamoyl]-6-azaspiro[3.4]octane-6-carboxylate;N-[(1S)-1-cyano-2-[(1S)-2-oxocyclopentyl]ethyl]-6-(6,7-dichloro-1H-indole-2-carbonyl)-6-azaspiro[3.4]octane-7-carboxamide;6,7-dichloro-1H-indole-2-carboxylic acid;methyl (2S)-2-[[6-(6,7-dichloro-1H-indole-2-carbonyl)-6-azaspiro[3.4]octane-7-carbonyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate;methyl (2S)-3-[(1S)-2-oxocyclopentyl]-2-(spiro[3.4]octane-7-carbonylamino)propanoate;hydrochloride?

N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]-6-(6,7-dichloro-1H-indole-2-carbonyl)-6-azaspiro[3.4]octane-7-carboxamide;tert-butyl 7-[[(2S)-1-methoxy-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]carbamoyl]-6-azaspiro[3.4]octane-6-carboxylate;N-[(1S)-1-cyano-2-[(1S)-2-oxocyclopentyl]ethyl]-6-(6,7-dichloro-1H-indole-2-carbonyl)-6-azaspiro[3.4]octane-7-carboxamide;6,7-dichloro-1H-indole-2-carboxylic acid;methyl (2S)-2-[[6-(6,7-dichloro-1H-indole-2-carbonyl)-6-azaspiro[3.4]octane-7-carbonyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate;methyl (2S)-3-[(1S)-2-oxocyclopentyl]-2-(spiro[3.4]octane-7-carbonylamino)propanoate;hydrochloride has a molecular weight of 2565.73 g/mol, XLogP of 21.04, 28 rotatable bonds, 11 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]-6-(6,7-dichloro-1H-indole-2-carbonyl)-6-azaspiro[3.4]octane-7-carboxamide;tert-butyl 7-[[(2S)-1-methoxy-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]carbamoyl]-6-azaspiro[3.4]octane-6-carboxylate;N-[(1S)-1-cyano-2-[(1S)-2-oxocyclopentyl]ethyl]-6-(6,7-dichloro-1H-indole-2-carbonyl)-6-azaspiro[3.4]octane-7-carboxamide;6,7-dichloro-1H-indole-2-carboxylic acid;methyl (2S)-2-[[6-(6,7-dichloro-1H-indole-2-carbonyl)-6-azaspiro[3.4]octane-7-carbonyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate;methyl (2S)-3-[(1S)-2-oxocyclopentyl]-2-(spiro[3.4]octane-7-carbonylamino)propanoate;hydrochloride is sourced from PubChem (CID 163529050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).