(3S,3aS,6aR)-2-(4-chloro-5,7-difluoro-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclopentyl]pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4,7-dichloro-1H-benzimidazole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclopentyl]pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-N-[(2S)-1-(1,1-dioxothiolan-2-yl)-3-oxobutan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(7S)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(1S)-2-oxocyclopentyl]butan-2-yl]-6-(4,6-dichloro-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide;(7S)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(1S)-2-oxocyclopentyl]butan-2-yl]-6-(1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide

C137H159Cl5F2N18O24S — CID 163459441

About (3S,3aS,6aR)-2-(4-chloro-5,7-difluoro-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclopentyl]pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4,7-dichloro-1H-benzimidazole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclopentyl]pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-N-[(2S)-1-(1,1-dioxothiolan-2-yl)-3-oxobutan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(7S)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(1S)-2-oxocyclopentyl]butan-2-yl]-6-(4,6-dichloro-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide;(7S)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(1S)-2-oxocyclopentyl]butan-2-yl]-6-(1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide

(3S,3aS,6aR)-2-(4-chloro-5,7-difluoro-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclopentyl]pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4,7-dichloro-1H-benzimidazole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclopentyl]pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-N-[(2S)-1-(1,1-dioxothiolan-2-yl)-3-oxobutan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(7S)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(1S)-2-oxocyclopentyl]butan-2-yl]-6-(4,6-dichloro-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide;(7S)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(1S)-2-oxocyclopentyl]butan-2-yl]-6-(1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide (PubChem CID 163459441) has the molecular formula C137H159Cl5F2N18O24S and a molecular weight of 2689.21 g/mol. Its IUPAC name is (3S,3aS,6aR)-2-(4-chloro-5,7-difluoro-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclopentyl]pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4,7-dichloro-1H-benzimidazole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclopentyl]pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-N-[(2S)-1-(1,1-dioxothiolan-2-yl)-3-oxobutan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(7S)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(1S)-2-oxocyclopentyl]butan-2-yl]-6-(4,6-dichloro-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide;(7S)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(1S)-2-oxocyclopentyl]butan-2-yl]-6-(1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide.

Molecular Properties

• Compound Name: (3S,3aS,6aR)-2-(4-chloro-5,7-difluoro-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclopentyl]pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4,7-dichloro-1H-benzimidazole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclopentyl]pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-N-[(2S)-1-(1,1-dioxothiolan-2-yl)-3-oxobutan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(7S)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(1S)-2-oxocyclopentyl]butan-2-yl]-6-(4,6-dichloro-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide;(7S)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(1S)-2-oxocyclopentyl]butan-2-yl]-6-(1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide
• PubChem CID: 163459441
• Molecular Formula: C137H159Cl5F2N18O24S
• Molecular Weight: 2689.21 g/mol
• Exact Mass: 2684.99
• IUPAC Name: (3S,3aS,6aR)-2-(4-chloro-5,7-difluoro-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclopentyl]pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4,7-dichloro-1H-benzimidazole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclopentyl]pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-N-[(2S)-1-(1,1-dioxothiolan-2-yl)-3-oxobutan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(7S)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(1S)-2-oxocyclopentyl]butan-2-yl]-6-(4,6-dichloro-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide;(7S)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(1S)-2-oxocyclopentyl]butan-2-yl]-6-(1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide
• SMILES: CCC(=O)[C@H](C[C@@H]1CCCC1=O)NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1cc2c(Cl)c(F)cc(F)c2[nH]1.CCC(=O)[C@H](C[C@@H]1CCCC1=O)NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1nc2c(Cl)ccc(Cl)c2[nH]1.COc1cccc2[nH]c(C(=O)N3C[C@@H]4CCC[C@@H]4[C@H]3C(=O)N[C@@H](CC3CCCS3(=O)=O)C(C)=O)cc12.O=C(NC1CC1)C(=O)[C@H](C[C@@H]1CCCC1=O)NC(=O)[C@@H]1CC2(CCN1C(=O)c1cc3c(Cl)cc(Cl)cc3[nH]1)CC2.O=C(NC1CC1)C(=O)[C@H](C[C@@H]1CCCC1=O)NC(=O)[C@@H]1CC2(CCN1C(=O)c1cc3ccccc3[nH]1)CC2
• InChI: InChI=1S/C29H32Cl2N4O5.C29H34N4O5.C27H30ClF2N3O4.C26H30Cl2N4O4.C26H33N3O6S/c30-16-11-19(31)18-13-22(33-20(18)12-16)28(40)35-9-8-29(6-7-29)14-23(35)26(38)34-21(10-15-2-1-3-24(15)36)25(37)27(39)32-17-4-5-17;34-24-7-3-5-18(24)15-21(25(35)27(37)30-19-8-9-19)32-26(36)23-16-29(10-11-29)12-13-33(23)28(38)22-14-17-4-1-2-6-20(17)31-22;1-2-21(34)19(9-13-5-4-8-22(13)35)32-26(36)25-15-7-3-6-14(15)12-33(25)27(37)20-10-16-23(28)17(29)11-18(30)24(16)31-20;1-2-19(33)18(11-13-5-4-8-20(13)34)29-25(35)23-15-7-3-6-14(15)12-32(23)26(36)24-30-21-16(27)9-10-17(28)22(21)31-24;1-15(30)21(12-17-7-5-11-36(17,33)34)28-25(31)24-18-8-3-6-16(18)14-29(24)26(32)22-13-19-20(27-22)9-4-10-23(19)35-2/h11-13,15,17,21,23,33H,1-10,14H2,(H,32,39)(H,34,38);1-2,4,6,14,18-19,21,23,31H,3,5,7-13,15-16H2,(H,30,37)(H,32,36);10-11,13-15,19,25,31H,2-9,12H2,1H3,(H,32,36);9-10,13-15,18,23H,2-8,11-12H2,1H3,(H,29,35)(H,30,31);4,9-10,13,16-18,21,24,27H,3,5-8,11-12,14H2,1-2H3,(H,28,31)/t15-,21-,23-;18-,21-,23-;13-,14-,15-,19-,25-;13-,14-,15-,18-,23-;16-,17?,18-,21-,24-/m00000/s1
• InChIKey: BNIITYIJWJLRLH-VABLQWQQSA-N
• XLogP: 17.95
• TPSA: 594.09 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 25
• Rotatable Bonds: 37
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2689.21
LogP ≤ 5	17.95
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3S,3aS,6aR)-2-(4-chloro-5,7-difluoro-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclopentyl]pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4,7-dichloro-1H-benzimidazole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclopentyl]pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-N-[(2S)-1-(1,1-dioxothiolan-2-yl)-3-oxobutan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(7S)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(1S)-2-oxocyclopentyl]butan-2-yl]-6-(4,6-dichloro-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide;(7S)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(1S)-2-oxocyclopentyl]butan-2-yl]-6-(1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide?

The IUPAC name of (3S,3aS,6aR)-2-(4-chloro-5,7-difluoro-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclopentyl]pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4,7-dichloro-1H-benzimidazole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclopentyl]pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-N-[(2S)-1-(1,1-dioxothiolan-2-yl)-3-oxobutan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(7S)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(1S)-2-oxocyclopentyl]butan-2-yl]-6-(4,6-dichloro-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide;(7S)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(1S)-2-oxocyclopentyl]butan-2-yl]-6-(1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide (CID 163459441) is (3S,3aS,6aR)-2-(4-chloro-5,7-difluoro-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclopentyl]pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4,7-dichloro-1H-benzimidazole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclopentyl]pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-N-[(2S)-1-(1,1-dioxothiolan-2-yl)-3-oxobutan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(7S)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(1S)-2-oxocyclopentyl]butan-2-yl]-6-(4,6-dichloro-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide;(7S)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(1S)-2-oxocyclopentyl]butan-2-yl]-6-(1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide.

What is the SMILES notation for (3S,3aS,6aR)-2-(4-chloro-5,7-difluoro-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclopentyl]pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4,7-dichloro-1H-benzimidazole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclopentyl]pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-N-[(2S)-1-(1,1-dioxothiolan-2-yl)-3-oxobutan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(7S)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(1S)-2-oxocyclopentyl]butan-2-yl]-6-(4,6-dichloro-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide;(7S)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(1S)-2-oxocyclopentyl]butan-2-yl]-6-(1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide?

The canonical SMILES for (3S,3aS,6aR)-2-(4-chloro-5,7-difluoro-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclopentyl]pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4,7-dichloro-1H-benzimidazole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclopentyl]pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-N-[(2S)-1-(1,1-dioxothiolan-2-yl)-3-oxobutan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(7S)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(1S)-2-oxocyclopentyl]butan-2-yl]-6-(4,6-dichloro-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide;(7S)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(1S)-2-oxocyclopentyl]butan-2-yl]-6-(1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide is CCC(=O)[C@H](C[C@@H]1CCCC1=O)NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1cc2c(Cl)c(F)cc(F)c2[nH]1.CCC(=O)[C@H](C[C@@H]1CCCC1=O)NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1nc2c(Cl)ccc(Cl)c2[nH]1.COc1cccc2[nH]c(C(=O)N3C[C@@H]4CCC[C@@H]4[C@H]3C(=O)N[C@@H](CC3CCCS3(=O)=O)C(C)=O)cc12.O=C(NC1CC1)C(=O)[C@H](C[C@@H]1CCCC1=O)NC(=O)[C@@H]1CC2(CCN1C(=O)c1cc3c(Cl)cc(Cl)cc3[nH]1)CC2.O=C(NC1CC1)C(=O)[C@H](C[C@@H]1CCCC1=O)NC(=O)[C@@H]1CC2(CCN1C(=O)c1cc3ccccc3[nH]1)CC2.

What is the InChIKey of (3S,3aS,6aR)-2-(4-chloro-5,7-difluoro-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclopentyl]pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4,7-dichloro-1H-benzimidazole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclopentyl]pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-N-[(2S)-1-(1,1-dioxothiolan-2-yl)-3-oxobutan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(7S)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(1S)-2-oxocyclopentyl]butan-2-yl]-6-(4,6-dichloro-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide;(7S)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(1S)-2-oxocyclopentyl]butan-2-yl]-6-(1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide?

The InChIKey is BNIITYIJWJLRLH-VABLQWQQSA-N. The full InChI is InChI=1S/C29H32Cl2N4O5.C29H34N4O5.C27H30ClF2N3O4.C26H30Cl2N4O4.C26H33N3O6S/c30-16-11-19(31)18-13-22(33-20(18)12-16)28(40)35-9-8-29(6-7-29)14-23(35)26(38)34-21(10-15-2-1-3-24(15)36)25(37)27(39)32-17-4-5-17;34-24-7-3-5-18(24)15-21(25(35)27(37)30-19-8-9-19)32-26(36)23-16-29(10-11-29)12-13-33(23)28(38)22-14-17-4-1-2-6-20(17)31-22;1-2-21(34)19(9-13-5-4-8-22(13)35)32-26(36)25-15-7-3-6-14(15)12-33(25)27(37)20-10-16-23(28)17(29)11-18(30)24(16)31-20;1-2-19(33)18(11-13-5-4-8-20(13)34)29-25(35)23-15-7-3-6-14(15)12-32(23)26(36)24-30-21-16(27)9-10-17(28)22(21)31-24;1-15(30)21(12-17-7-5-11-36(17,33)34)28-25(31)24-18-8-3-6-16(18)14-29(24)26(32)22-13-19-20(27-22)9-4-10-23(19)35-2/h11-13,15,17,21,23,33H,1-10,14H2,(H,32,39)(H,34,38);1-2,4,6,14,18-19,21,23,31H,3,5,7-13,15-16H2,(H,30,37)(H,32,36);10-11,13-15,19,25,31H,2-9,12H2,1H3,(H,32,36);9-10,13-15,18,23H,2-8,11-12H2,1H3,(H,29,35)(H,30,31);4,9-10,13,16-18,21,24,27H,3,5-8,11-12,14H2,1-2H3,(H,28,31)/t15-,21-,23-;18-,21-,23-;13-,14-,15-,19-,25-;13-,14-,15-,18-,23-;16-,17?,18-,21-,24-/m00000/s1.

What are the key properties of (3S,3aS,6aR)-2-(4-chloro-5,7-difluoro-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclopentyl]pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4,7-dichloro-1H-benzimidazole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclopentyl]pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-N-[(2S)-1-(1,1-dioxothiolan-2-yl)-3-oxobutan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(7S)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(1S)-2-oxocyclopentyl]butan-2-yl]-6-(4,6-dichloro-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide;(7S)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(1S)-2-oxocyclopentyl]butan-2-yl]-6-(1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide?

(3S,3aS,6aR)-2-(4-chloro-5,7-difluoro-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclopentyl]pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4,7-dichloro-1H-benzimidazole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclopentyl]pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-N-[(2S)-1-(1,1-dioxothiolan-2-yl)-3-oxobutan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(7S)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(1S)-2-oxocyclopentyl]butan-2-yl]-6-(4,6-dichloro-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide;(7S)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(1S)-2-oxocyclopentyl]butan-2-yl]-6-(1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide has a molecular weight of 2689.21 g/mol, XLogP of 17.95, 37 rotatable bonds, 12 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,3aS,6aR)-2-(4-chloro-5,7-difluoro-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclopentyl]pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4,7-dichloro-1H-benzimidazole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclopentyl]pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-N-[(2S)-1-(1,1-dioxothiolan-2-yl)-3-oxobutan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(7S)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(1S)-2-oxocyclopentyl]butan-2-yl]-6-(4,6-dichloro-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide;(7S)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(1S)-2-oxocyclopentyl]butan-2-yl]-6-(1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide is sourced from PubChem (CID 163459441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).