N-[3,4-dioxo-1-(2-oxopiperidin-3-yl)-4-(propan-2-ylamino)butan-2-yl]-1-(4-methoxy-1H-indole-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide;N-[3,4-dioxo-1-(2-oxopyrrolidin-3-yl)-4-(propan-2-ylamino)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxocyclopentyl)hexan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)hexan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-N-[1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide

C139H173F6N21O27 — CID 163684067

IUPACN-[3,4-dioxo-1-(2-oxopiperidin-3-yl)-4-(propan-2-ylamino)butan-2-yl]-1-(4-methoxy-1H-indole-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide;N-[3,4-dioxo-1-(2-oxopyrrolidin-3-yl)-4-(propan-2-ylamino)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxocyclopentyl)hexan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)hexan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-N-[1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide
SMILESCCCC(=O)C(CC1CCCC1=O)NC(=O)C1C2CCCC2CN1C(=O)c1cc2c(OC)cccc2[nH]1.CCCC(=O)C(CC1CCCNC1=O)NC(=O)C1C2CCCC2CN1C(=O)c1cc2c(OC)cccc2[nH]1.COc1cccc2[nH]c(C(=O)N3CC(C(F)(F)F)CC3C(=O)NC(C=O)CC3CCCNC3=O)cc12.COc1cccc2[nH]c(C(=O)N3CC(C(F)(F)F)CC3C(=O)NC(CC3CCCNC3=O)C(=O)C(=O)NC(C)C)cc12.COc1cccc2[nH]c(C(=O)N3CC4CCCC4C3C(=O)NC(CC3CCNC3=O)C(=O)C(=O)NC(C)C)cc12
InChIInChI=1S/C29H37N5O6.C29H38N4O5.C29H37N3O5.C28H34F3N5O6.C24H27F3N4O5/c1-15(2)31-28(38)25(35)21(12-16-10-11-30-26(16)36)33-27(37)24-18-7-4-6-17(18)14-34(24)29(39)22-13-19-20(32-22)8-5-9-23(19)40-3;1-3-7-24(34)22(14-17-9-6-13-30-27(17)35)32-28(36)26-19-10-4-8-18(19)16-33(26)29(37)23-15-20-21(31-23)11-5-12-25(20)38-2;1-3-7-25(34)22(14-17-8-5-12-24(17)33)31-28(35)27-19-10-4-9-18(19)16-32(27)29(36)23-15-20-21(30-23)11-6-13-26(20)37-2;1-14(2)33-26(40)23(37)19(10-15-6-5-9-32-24(15)38)35-25(39)21-11-16(28(29,30)31)13-36(21)27(41)20-12-17-18(34-20)7-4-8-22(17)42-3;1-36-20-6-2-5-17-16(20)10-18(30-17)23(35)31-11-14(24(25,26)27)9-19(31)22(34)29-15(12-32)8-13-4-3-7-28-21(13)33/h5,8-9,13,15-18,21,24,32H,4,6-7,10-12,14H2,1-3H3,(H,30,36)(H,31,38)(H,33,37);5,11-12,15,17-19,22,26,31H,3-4,6-10,13-14,16H2,1-2H3,(H,30,35)(H,32,36);6,11,13,15,17-19,22,27,30H,3-5,7-10,12,14,16H2,1-2H3,(H,31,35);4,7-8,12,14-16,19,21,34H,5-6,9-11,13H2,1-3H3,(H,32,38)(H,33,40)(H,35,39);2,5-6,10,12-15,19,30H,3-4,7-9,11H2,1H3,(H,28,33)(H,29,34)
InChIKeyJNHPGVSSAKLPBI-UHFFFAOYSA-N
MW2684.02 g/mol
LogP12.97
Rot. Bonds43

About N-[3,4-dioxo-1-(2-oxopiperidin-3-yl)-4-(propan-2-ylamino)butan-2-yl]-1-(4-methoxy-1H-indole-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide;N-[3,4-dioxo-1-(2-oxopyrrolidin-3-yl)-4-(propan-2-ylamino)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxocyclopentyl)hexan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)hexan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-N-[1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide

N-[3,4-dioxo-1-(2-oxopiperidin-3-yl)-4-(propan-2-ylamino)butan-2-yl]-1-(4-methoxy-1H-indole-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide;N-[3,4-dioxo-1-(2-oxopyrrolidin-3-yl)-4-(propan-2-ylamino)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxocyclopentyl)hexan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)hexan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-N-[1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide (PubChem CID 163684067) has the molecular formula C139H173F6N21O27 and a molecular weight of 2684.02 g/mol. Its IUPAC name is N-[3,4-dioxo-1-(2-oxopiperidin-3-yl)-4-(propan-2-ylamino)butan-2-yl]-1-(4-methoxy-1H-indole-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide;N-[3,4-dioxo-1-(2-oxopyrrolidin-3-yl)-4-(propan-2-ylamino)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxocyclopentyl)hexan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)hexan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-N-[1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[3,4-dioxo-1-(2-oxopiperidin-3-yl)-4-(propan-2-ylamino)butan-2-yl]-1-(4-methoxy-1H-indole-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide;N-[3,4-dioxo-1-(2-oxopyrrolidin-3-yl)-4-(propan-2-ylamino)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxocyclopentyl)hexan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)hexan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-N-[1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide
PubChem CID163684067
Molecular FormulaC139H173F6N21O27
Molecular Weight2684.02 g/mol
Exact Mass2682.27
IUPAC NameN-[3,4-dioxo-1-(2-oxopiperidin-3-yl)-4-(propan-2-ylamino)butan-2-yl]-1-(4-methoxy-1H-indole-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide;N-[3,4-dioxo-1-(2-oxopyrrolidin-3-yl)-4-(propan-2-ylamino)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxocyclopentyl)hexan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)hexan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-N-[1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide
SMILESCCCC(=O)C(CC1CCCC1=O)NC(=O)C1C2CCCC2CN1C(=O)c1cc2c(OC)cccc2[nH]1.CCCC(=O)C(CC1CCCNC1=O)NC(=O)C1C2CCCC2CN1C(=O)c1cc2c(OC)cccc2[nH]1.COc1cccc2[nH]c(C(=O)N3CC(C(F)(F)F)CC3C(=O)NC(C=O)CC3CCCNC3=O)cc12.COc1cccc2[nH]c(C(=O)N3CC(C(F)(F)F)CC3C(=O)NC(CC3CCCNC3=O)C(=O)C(=O)NC(C)C)cc12.COc1cccc2[nH]c(C(=O)N3CC4CCCC4C3C(=O)NC(CC3CCNC3=O)C(=O)C(=O)NC(C)C)cc12
InChIInChI=1S/C29H37N5O6.C29H38N4O5.C29H37N3O5.C28H34F3N5O6.C24H27F3N4O5/c1-15(2)31-28(38)25(35)21(12-16-10-11-30-26(16)36)33-27(37)24-18-7-4-6-17(18)14-34(24)29(39)22-13-19-20(32-22)8-5-9-23(19)40-3;1-3-7-24(34)22(14-17-9-6-13-30-27(17)35)32-28(36)26-19-10-4-8-18(19)16-33(26)29(37)23-15-20-21(31-23)11-5-12-25(20)38-2;1-3-7-25(34)22(14-17-8-5-12-24(17)33)31-28(35)27-19-10-4-9-18(19)16-32(27)29(36)23-15-20-21(30-23)11-6-13-26(20)37-2;1-14(2)33-26(40)23(37)19(10-15-6-5-9-32-24(15)38)35-25(39)21-11-16(28(29,30)31)13-36(21)27(41)20-12-17-18(34-20)7-4-8-22(17)42-3;1-36-20-6-2-5-17-16(20)10-18(30-17)23(35)31-11-14(24(25,26)27)9-19(31)22(34)29-15(12-32)8-13-4-3-7-28-21(13)33/h5,8-9,13,15-18,21,24,32H,4,6-7,10-12,14H2,1-3H3,(H,30,36)(H,31,38)(H,33,37);5,11-12,15,17-19,22,26,31H,3-4,6-10,13-14,16H2,1-2H3,(H,30,35)(H,32,36);6,11,13,15,17-19,22,27,30H,3-5,7-10,12,14,16H2,1-2H3,(H,31,35);4,7-8,12,14-16,19,21,34H,5-6,9-11,13H2,1-3H3,(H,32,38)(H,33,40)(H,35,39);2,5-6,10,12-15,19,30H,3-4,7-9,11H2,1H3,(H,28,33)(H,29,34)
InChIKeyJNHPGVSSAKLPBI-UHFFFAOYSA-N
XLogP12.97
TPSA649.17 Ų
H-Bond Donors16
H-Bond Acceptors27
Rotatable Bonds43
Heavy Atoms193
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002684.02
LogP ≤ 512.97
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze N-[3,4-dioxo-1-(2-oxopiperidin-3-yl)-4-(propan-2-ylamino)butan-2-yl]-1-(4-methoxy-1H-indole-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide;N-[3,4-dioxo-1-(2-oxopyrrolidin-3-yl)-4-(propan-2-ylamino)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxocyclopentyl)hexan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)hexan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-N-[1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3,4-dioxo-1-(2-oxopiperidin-3-yl)-4-(propan-2-ylamino)butan-2-yl]-1-(4-methoxy-1H-indole-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide;N-[3,4-dioxo-1-(2-oxopyrrolidin-3-yl)-4-(propan-2-ylamino)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxocyclopentyl)hexan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)hexan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-N-[1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-[3,4-dioxo-1-(2-oxopiperidin-3-yl)-4-(propan-2-ylamino)butan-2-yl]-1-(4-methoxy-1H-indole-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide;N-[3,4-dioxo-1-(2-oxopyrrolidin-3-yl)-4-(propan-2-ylamino)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxocyclopentyl)hexan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)hexan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-N-[1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide (CID 163684067) is N-[3,4-dioxo-1-(2-oxopiperidin-3-yl)-4-(propan-2-ylamino)butan-2-yl]-1-(4-methoxy-1H-indole-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide;N-[3,4-dioxo-1-(2-oxopyrrolidin-3-yl)-4-(propan-2-ylamino)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxocyclopentyl)hexan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)hexan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-N-[1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[3,4-dioxo-1-(2-oxopiperidin-3-yl)-4-(propan-2-ylamino)butan-2-yl]-1-(4-methoxy-1H-indole-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide;N-[3,4-dioxo-1-(2-oxopyrrolidin-3-yl)-4-(propan-2-ylamino)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxocyclopentyl)hexan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)hexan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-N-[1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-[3,4-dioxo-1-(2-oxopiperidin-3-yl)-4-(propan-2-ylamino)butan-2-yl]-1-(4-methoxy-1H-indole-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide;N-[3,4-dioxo-1-(2-oxopyrrolidin-3-yl)-4-(propan-2-ylamino)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxocyclopentyl)hexan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)hexan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-N-[1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide is CCCC(=O)C(CC1CCCC1=O)NC(=O)C1C2CCCC2CN1C(=O)c1cc2c(OC)cccc2[nH]1.CCCC(=O)C(CC1CCCNC1=O)NC(=O)C1C2CCCC2CN1C(=O)c1cc2c(OC)cccc2[nH]1.COc1cccc2[nH]c(C(=O)N3CC(C(F)(F)F)CC3C(=O)NC(C=O)CC3CCCNC3=O)cc12.COc1cccc2[nH]c(C(=O)N3CC(C(F)(F)F)CC3C(=O)NC(CC3CCCNC3=O)C(=O)C(=O)NC(C)C)cc12.COc1cccc2[nH]c(C(=O)N3CC4CCCC4C3C(=O)NC(CC3CCNC3=O)C(=O)C(=O)NC(C)C)cc12.
What is the InChIKey of N-[3,4-dioxo-1-(2-oxopiperidin-3-yl)-4-(propan-2-ylamino)butan-2-yl]-1-(4-methoxy-1H-indole-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide;N-[3,4-dioxo-1-(2-oxopyrrolidin-3-yl)-4-(propan-2-ylamino)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxocyclopentyl)hexan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)hexan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-N-[1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide?
The InChIKey is JNHPGVSSAKLPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N5O6.C29H38N4O5.C29H37N3O5.C28H34F3N5O6.C24H27F3N4O5/c1-15(2)31-28(38)25(35)21(12-16-10-11-30-26(16)36)33-27(37)24-18-7-4-6-17(18)14-34(24)29(39)22-13-19-20(32-22)8-5-9-23(19)40-3;1-3-7-24(34)22(14-17-9-6-13-30-27(17)35)32-28(36)26-19-10-4-8-18(19)16-33(26)29(37)23-15-20-21(31-23)11-5-12-25(20)38-2;1-3-7-25(34)22(14-17-8-5-12-24(17)33)31-28(35)27-19-10-4-9-18(19)16-32(27)29(36)23-15-20-21(30-23)11-6-13-26(20)37-2;1-14(2)33-26(40)23(37)19(10-15-6-5-9-32-24(15)38)35-25(39)21-11-16(28(29,30)31)13-36(21)27(41)20-12-17-18(34-20)7-4-8-22(17)42-3;1-36-20-6-2-5-17-16(20)10-18(30-17)23(35)31-11-14(24(25,26)27)9-19(31)22(34)29-15(12-32)8-13-4-3-7-28-21(13)33/h5,8-9,13,15-18,21,24,32H,4,6-7,10-12,14H2,1-3H3,(H,30,36)(H,31,38)(H,33,37);5,11-12,15,17-19,22,26,31H,3-4,6-10,13-14,16H2,1-2H3,(H,30,35)(H,32,36);6,11,13,15,17-19,22,27,30H,3-5,7-10,12,14,16H2,1-2H3,(H,31,35);4,7-8,12,14-16,19,21,34H,5-6,9-11,13H2,1-3H3,(H,32,38)(H,33,40)(H,35,39);2,5-6,10,12-15,19,30H,3-4,7-9,11H2,1H3,(H,28,33)(H,29,34).
What are the key properties of N-[3,4-dioxo-1-(2-oxopiperidin-3-yl)-4-(propan-2-ylamino)butan-2-yl]-1-(4-methoxy-1H-indole-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide;N-[3,4-dioxo-1-(2-oxopyrrolidin-3-yl)-4-(propan-2-ylamino)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxocyclopentyl)hexan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)hexan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-N-[1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide?
N-[3,4-dioxo-1-(2-oxopiperidin-3-yl)-4-(propan-2-ylamino)butan-2-yl]-1-(4-methoxy-1H-indole-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide;N-[3,4-dioxo-1-(2-oxopyrrolidin-3-yl)-4-(propan-2-ylamino)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxocyclopentyl)hexan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)hexan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-N-[1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide has a molecular weight of 2684.02 g/mol, XLogP of 12.97, 43 rotatable bonds, 16 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-dioxo-1-(2-oxopiperidin-3-yl)-4-(propan-2-ylamino)butan-2-yl]-1-(4-methoxy-1H-indole-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide;N-[3,4-dioxo-1-(2-oxopyrrolidin-3-yl)-4-(propan-2-ylamino)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxocyclopentyl)hexan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)hexan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-N-[1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 163684067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).