N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-2,2-difluoro-5-(1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;5-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-4-phenylpyrrolidine-2-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)-4-phenylmethoxybutan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide

C147H169F2N21O26 — CID 163677767

IUPACN-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-2,2-difluoro-5-(1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;5-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-4-phenylpyrrolidine-2-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)-4-phenylmethoxybutan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
SMILESCCC(=O)C(CC1CCNC1=O)NC(=O)C1C2CCCC2CN1C(=O)c1cc2c(OC)cccc2[nH]1.CCC(=O)C(CC1CCNC1=O)NC(=O)C1CC(c2ccccc2)CN1C(=O)c1cc2c(OC)cccc2[nH]1.CCC(=O)C(CC1CCNC1=O)NC(=O)C1CC2(CC2)CN1C(=O)c1cc2c(OC)cccc2[nH]1.COc1cccc2[nH]c(C(=O)N3CC4CCCC4C3C(=O)NC(CC3CCNC3=O)C(=O)COCc3ccccc3)cc12.O=C(NCc1ccccc1)C(=O)C(CC1CCNC1=O)NC(=O)C1CC2(CN1C(=O)c1cc3ccccc3[nH]1)CC2(F)F
InChIInChI=1S/C33H38N4O6.C31H31F2N5O5.C30H34N4O5.C27H34N4O5.C26H32N4O5/c1-42-29-12-6-11-25-24(29)16-27(35-25)33(41)37-17-22-9-5-10-23(22)30(37)32(40)36-26(15-21-13-14-34-31(21)39)28(38)19-43-18-20-7-3-2-4-8-20;32-31(33)16-30(31)14-24(38(17-30)29(43)23-12-19-8-4-5-9-21(19)36-23)27(41)37-22(13-20-10-11-34-26(20)40)25(39)28(42)35-15-18-6-2-1-3-7-18;1-3-26(35)23(14-19-12-13-31-28(19)36)33-29(37)25-15-20(18-8-5-4-6-9-18)17-34(25)30(38)24-16-21-22(32-24)10-7-11-27(21)39-2;1-3-22(32)20(12-15-10-11-28-25(15)33)30-26(34)24-17-7-4-6-16(17)14-31(24)27(35)21-13-18-19(29-21)8-5-9-23(18)36-2;1-3-21(31)18(11-15-7-10-27-23(15)32)29-24(33)20-13-26(8-9-26)14-30(20)25(34)19-12-16-17(28-19)5-4-6-22(16)35-2/h2-4,6-8,11-12,16,21-23,26,30,35H,5,9-10,13-15,17-19H2,1H3,(H,34,39)(H,36,40);1-9,12,20,22,24,36H,10-11,13-17H2,(H,34,40)(H,35,42)(H,37,41);4-11,16,19-20,23,25,32H,3,12-15,17H2,1-2H3,(H,31,36)(H,33,37);5,8-9,13,15-17,20,24,29H,3-4,6-7,10-12,14H2,1-2H3,(H,28,33)(H,30,34);4-6,12,15,18,20,28H,3,7-11,13-14H2,1-2H3,(H,27,32)(H,29,33)
InChIKeyJIENQAXZRFFJCM-UHFFFAOYSA-N
MW2684.09 g/mol
LogP13.25
Rot. Bonds45

About N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-2,2-difluoro-5-(1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;5-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-4-phenylpyrrolidine-2-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)-4-phenylmethoxybutan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide

N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-2,2-difluoro-5-(1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;5-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-4-phenylpyrrolidine-2-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)-4-phenylmethoxybutan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide (PubChem CID 163677767) has the molecular formula C147H169F2N21O26 and a molecular weight of 2684.09 g/mol. Its IUPAC name is N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-2,2-difluoro-5-(1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;5-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-4-phenylpyrrolidine-2-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)-4-phenylmethoxybutan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-2,2-difluoro-5-(1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;5-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-4-phenylpyrrolidine-2-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)-4-phenylmethoxybutan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
PubChem CID163677767
Molecular FormulaC147H169F2N21O26
Molecular Weight2684.09 g/mol
Exact Mass2682.25
IUPAC NameN-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-2,2-difluoro-5-(1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;5-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-4-phenylpyrrolidine-2-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)-4-phenylmethoxybutan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
SMILESCCC(=O)C(CC1CCNC1=O)NC(=O)C1C2CCCC2CN1C(=O)c1cc2c(OC)cccc2[nH]1.CCC(=O)C(CC1CCNC1=O)NC(=O)C1CC(c2ccccc2)CN1C(=O)c1cc2c(OC)cccc2[nH]1.CCC(=O)C(CC1CCNC1=O)NC(=O)C1CC2(CC2)CN1C(=O)c1cc2c(OC)cccc2[nH]1.COc1cccc2[nH]c(C(=O)N3CC4CCCC4C3C(=O)NC(CC3CCNC3=O)C(=O)COCc3ccccc3)cc12.O=C(NCc1ccccc1)C(=O)C(CC1CCNC1=O)NC(=O)C1CC2(CN1C(=O)c1cc3ccccc3[nH]1)CC2(F)F
InChIInChI=1S/C33H38N4O6.C31H31F2N5O5.C30H34N4O5.C27H34N4O5.C26H32N4O5/c1-42-29-12-6-11-25-24(29)16-27(35-25)33(41)37-17-22-9-5-10-23(22)30(37)32(40)36-26(15-21-13-14-34-31(21)39)28(38)19-43-18-20-7-3-2-4-8-20;32-31(33)16-30(31)14-24(38(17-30)29(43)23-12-19-8-4-5-9-21(19)36-23)27(41)37-22(13-20-10-11-34-26(20)40)25(39)28(42)35-15-18-6-2-1-3-7-18;1-3-26(35)23(14-19-12-13-31-28(19)36)33-29(37)25-15-20(18-8-5-4-6-9-18)17-34(25)30(38)24-16-21-22(32-24)10-7-11-27(21)39-2;1-3-22(32)20(12-15-10-11-28-25(15)33)30-26(34)24-17-7-4-6-16(17)14-31(24)27(35)21-13-18-19(29-21)8-5-9-23(18)36-2;1-3-21(31)18(11-15-7-10-27-23(15)32)29-24(33)20-13-26(8-9-26)14-30(20)25(34)19-12-16-17(28-19)5-4-6-22(16)35-2/h2-4,6-8,11-12,16,21-23,26,30,35H,5,9-10,13-15,17-19H2,1H3,(H,34,39)(H,36,40);1-9,12,20,22,24,36H,10-11,13-17H2,(H,34,40)(H,35,42)(H,37,41);4-11,16,19-20,23,25,32H,3,12-15,17H2,1-2H3,(H,31,36)(H,33,37);5,8-9,13,15-17,20,24,29H,3-4,6-7,10-12,14H2,1-2H3,(H,28,33)(H,30,34);4-6,12,15,18,20,28H,3,7-11,13-14H2,1-2H3,(H,27,32)(H,29,33)
InChIKeyJIENQAXZRFFJCM-UHFFFAOYSA-N
XLogP13.25
TPSA632.10 Ų
H-Bond Donors16
H-Bond Acceptors26
Rotatable Bonds45
Heavy Atoms196
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002684.09
LogP ≤ 513.25
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-2,2-difluoro-5-(1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;5-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-4-phenylpyrrolidine-2-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)-4-phenylmethoxybutan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-2,2-difluoro-5-(1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;5-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-4-phenylpyrrolidine-2-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)-4-phenylmethoxybutan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide?
The IUPAC name of N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-2,2-difluoro-5-(1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;5-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-4-phenylpyrrolidine-2-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)-4-phenylmethoxybutan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide (CID 163677767) is N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-2,2-difluoro-5-(1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;5-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-4-phenylpyrrolidine-2-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)-4-phenylmethoxybutan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide.
What is the SMILES notation for N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-2,2-difluoro-5-(1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;5-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-4-phenylpyrrolidine-2-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)-4-phenylmethoxybutan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide?
The canonical SMILES for N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-2,2-difluoro-5-(1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;5-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-4-phenylpyrrolidine-2-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)-4-phenylmethoxybutan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide is CCC(=O)C(CC1CCNC1=O)NC(=O)C1C2CCCC2CN1C(=O)c1cc2c(OC)cccc2[nH]1.CCC(=O)C(CC1CCNC1=O)NC(=O)C1CC(c2ccccc2)CN1C(=O)c1cc2c(OC)cccc2[nH]1.CCC(=O)C(CC1CCNC1=O)NC(=O)C1CC2(CC2)CN1C(=O)c1cc2c(OC)cccc2[nH]1.COc1cccc2[nH]c(C(=O)N3CC4CCCC4C3C(=O)NC(CC3CCNC3=O)C(=O)COCc3ccccc3)cc12.O=C(NCc1ccccc1)C(=O)C(CC1CCNC1=O)NC(=O)C1CC2(CN1C(=O)c1cc3ccccc3[nH]1)CC2(F)F.
What is the InChIKey of N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-2,2-difluoro-5-(1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;5-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-4-phenylpyrrolidine-2-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)-4-phenylmethoxybutan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide?
The InChIKey is JIENQAXZRFFJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N4O6.C31H31F2N5O5.C30H34N4O5.C27H34N4O5.C26H32N4O5/c1-42-29-12-6-11-25-24(29)16-27(35-25)33(41)37-17-22-9-5-10-23(22)30(37)32(40)36-26(15-21-13-14-34-31(21)39)28(38)19-43-18-20-7-3-2-4-8-20;32-31(33)16-30(31)14-24(38(17-30)29(43)23-12-19-8-4-5-9-21(19)36-23)27(41)37-22(13-20-10-11-34-26(20)40)25(39)28(42)35-15-18-6-2-1-3-7-18;1-3-26(35)23(14-19-12-13-31-28(19)36)33-29(37)25-15-20(18-8-5-4-6-9-18)17-34(25)30(38)24-16-21-22(32-24)10-7-11-27(21)39-2;1-3-22(32)20(12-15-10-11-28-25(15)33)30-26(34)24-17-7-4-6-16(17)14-31(24)27(35)21-13-18-19(29-21)8-5-9-23(18)36-2;1-3-21(31)18(11-15-7-10-27-23(15)32)29-24(33)20-13-26(8-9-26)14-30(20)25(34)19-12-16-17(28-19)5-4-6-22(16)35-2/h2-4,6-8,11-12,16,21-23,26,30,35H,5,9-10,13-15,17-19H2,1H3,(H,34,39)(H,36,40);1-9,12,20,22,24,36H,10-11,13-17H2,(H,34,40)(H,35,42)(H,37,41);4-11,16,19-20,23,25,32H,3,12-15,17H2,1-2H3,(H,31,36)(H,33,37);5,8-9,13,15-17,20,24,29H,3-4,6-7,10-12,14H2,1-2H3,(H,28,33)(H,30,34);4-6,12,15,18,20,28H,3,7-11,13-14H2,1-2H3,(H,27,32)(H,29,33).
What are the key properties of N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-2,2-difluoro-5-(1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;5-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-4-phenylpyrrolidine-2-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)-4-phenylmethoxybutan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide?
N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-2,2-difluoro-5-(1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;5-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-4-phenylpyrrolidine-2-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)-4-phenylmethoxybutan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide has a molecular weight of 2684.09 g/mol, XLogP of 13.25, 45 rotatable bonds, 16 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-2,2-difluoro-5-(1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;5-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-4-phenylpyrrolidine-2-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)-4-phenylmethoxybutan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide is sourced from PubChem (CID 163677767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).