N-[4-(benzylamino)-3,4-dioxo-1-(2-oxocyclohexyl)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-4-cyclopropyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide;2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[1-oxo-3-(2-oxocyclohexyl)propan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;N-[3,4-dioxo-1-(2-oxocyclohexyl)-4-(propan-2-ylamino)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[3,4-dioxo-1-(2-oxocyclohexyl)-4-(pyridin-2-ylmethylamino)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide

C155H171F8N21O28 — CID 163624011

IUPACN-[4-(benzylamino)-3,4-dioxo-1-(2-oxocyclohexyl)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-4-cyclopropyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide;2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[1-oxo-3-(2-oxocyclohexyl)propan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;N-[3,4-dioxo-1-(2-oxocyclohexyl)-4-(propan-2-ylamino)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[3,4-dioxo-1-(2-oxocyclohexyl)-4-(pyridin-2-ylmethylamino)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide
SMILESCOc1cccc2[nH]c(C(=O)N3CC4(CC3C(=O)NC(C=O)CC3CCCCC3=O)CC4(F)F)cc12.COc1cccc2[nH]c(C(=O)N3CC4(CC3C(=O)NC(CC3CCCCC3=O)C(=O)C(=O)NC(C)C)CC4(F)F)cc12.COc1cccc2[nH]c(C(=O)N3CC4(CC3C(=O)NC(CC3CCCCC3=O)C(=O)C(=O)NCc3ccccc3)CC4(F)F)cc12.COc1cccc2[nH]c(C(=O)N3CC4(CC3C(=O)NC(CC3CCCCC3=O)C(=O)C(=O)NCc3ccccn3)CC4(F)F)cc12.O=C(NCc1ccccc1)C(=O)C(CC1CCNC1=O)NC(=O)C1CC(C2CC2)CN1C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C34H36F2N4O6.C33H35F2N5O6.C32H35N5O5.C30H36F2N4O6.C26H29F2N3O5/c1-46-28-13-7-11-23-22(28)15-25(38-23)32(45)40-19-33(18-34(33,35)36)16-26(40)30(43)39-24(14-21-10-5-6-12-27(21)41)29(42)31(44)37-17-20-8-3-2-4-9-20;1-46-27-11-6-9-22-21(27)14-24(38-22)31(45)40-18-32(17-33(32,34)35)15-25(40)29(43)39-23(13-19-7-2-3-10-26(19)41)28(42)30(44)37-16-20-8-4-5-12-36-20;38-28(31(41)34-17-19-6-2-1-3-7-19)25(15-22-12-13-33-29(22)39)36-30(40)27-16-23(20-10-11-20)18-37(27)32(42)26-14-21-8-4-5-9-24(21)35-26;1-16(2)33-27(40)25(38)20(11-17-7-4-5-9-23(17)37)35-26(39)22-13-29(14-30(29,31)32)15-36(22)28(41)21-12-18-19(34-21)8-6-10-24(18)42-3;1-36-22-8-4-6-18-17(22)10-19(30-18)24(35)31-14-25(13-26(25,27)28)11-20(31)23(34)29-16(12-32)9-15-5-2-3-7-21(15)33/h2-4,7-9,11,13,15,21,24,26,38H,5-6,10,12,14,16-19H2,1H3,(H,37,44)(H,39,43);4-6,8-9,11-12,14,19,23,25,38H,2-3,7,10,13,15-18H2,1H3,(H,37,44)(H,39,43);1-9,14,20,22-23,25,27,35H,10-13,15-18H2,(H,33,39)(H,34,41)(H,36,40);6,8,10,12,16-17,20,22,34H,4-5,7,9,11,13-15H2,1-3H3,(H,33,40)(H,35,39);4,6,8,10,12,15-16,20,30H,2-3,5,7,9,11,13-14H2,1H3,(H,29,34)
InChIKeyHQNUTYHDZRXKHE-UHFFFAOYSA-N
MW2928.18 g/mol
LogP15.97
Rot. Bonds46

About N-[4-(benzylamino)-3,4-dioxo-1-(2-oxocyclohexyl)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-4-cyclopropyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide;2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[1-oxo-3-(2-oxocyclohexyl)propan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;N-[3,4-dioxo-1-(2-oxocyclohexyl)-4-(propan-2-ylamino)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[3,4-dioxo-1-(2-oxocyclohexyl)-4-(pyridin-2-ylmethylamino)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide

N-[4-(benzylamino)-3,4-dioxo-1-(2-oxocyclohexyl)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-4-cyclopropyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide;2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[1-oxo-3-(2-oxocyclohexyl)propan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;N-[3,4-dioxo-1-(2-oxocyclohexyl)-4-(propan-2-ylamino)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[3,4-dioxo-1-(2-oxocyclohexyl)-4-(pyridin-2-ylmethylamino)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide (PubChem CID 163624011) has the molecular formula C155H171F8N21O28 and a molecular weight of 2928.18 g/mol. Its IUPAC name is N-[4-(benzylamino)-3,4-dioxo-1-(2-oxocyclohexyl)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-4-cyclopropyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide;2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[1-oxo-3-(2-oxocyclohexyl)propan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;N-[3,4-dioxo-1-(2-oxocyclohexyl)-4-(propan-2-ylamino)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[3,4-dioxo-1-(2-oxocyclohexyl)-4-(pyridin-2-ylmethylamino)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide.

Molecular Properties

Compound NameN-[4-(benzylamino)-3,4-dioxo-1-(2-oxocyclohexyl)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-4-cyclopropyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide;2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[1-oxo-3-(2-oxocyclohexyl)propan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;N-[3,4-dioxo-1-(2-oxocyclohexyl)-4-(propan-2-ylamino)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[3,4-dioxo-1-(2-oxocyclohexyl)-4-(pyridin-2-ylmethylamino)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide
PubChem CID163624011
Molecular FormulaC155H171F8N21O28
Molecular Weight2928.18 g/mol
Exact Mass2926.25
IUPAC NameN-[4-(benzylamino)-3,4-dioxo-1-(2-oxocyclohexyl)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-4-cyclopropyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide;2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[1-oxo-3-(2-oxocyclohexyl)propan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;N-[3,4-dioxo-1-(2-oxocyclohexyl)-4-(propan-2-ylamino)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[3,4-dioxo-1-(2-oxocyclohexyl)-4-(pyridin-2-ylmethylamino)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide
SMILESCOc1cccc2[nH]c(C(=O)N3CC4(CC3C(=O)NC(C=O)CC3CCCCC3=O)CC4(F)F)cc12.COc1cccc2[nH]c(C(=O)N3CC4(CC3C(=O)NC(CC3CCCCC3=O)C(=O)C(=O)NC(C)C)CC4(F)F)cc12.COc1cccc2[nH]c(C(=O)N3CC4(CC3C(=O)NC(CC3CCCCC3=O)C(=O)C(=O)NCc3ccccc3)CC4(F)F)cc12.COc1cccc2[nH]c(C(=O)N3CC4(CC3C(=O)NC(CC3CCCCC3=O)C(=O)C(=O)NCc3ccccn3)CC4(F)F)cc12.O=C(NCc1ccccc1)C(=O)C(CC1CCNC1=O)NC(=O)C1CC(C2CC2)CN1C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C34H36F2N4O6.C33H35F2N5O6.C32H35N5O5.C30H36F2N4O6.C26H29F2N3O5/c1-46-28-13-7-11-23-22(28)15-25(38-23)32(45)40-19-33(18-34(33,35)36)16-26(40)30(43)39-24(14-21-10-5-6-12-27(21)41)29(42)31(44)37-17-20-8-3-2-4-9-20;1-46-27-11-6-9-22-21(27)14-24(38-22)31(45)40-18-32(17-33(32,34)35)15-25(40)29(43)39-23(13-19-7-2-3-10-26(19)41)28(42)30(44)37-16-20-8-4-5-12-36-20;38-28(31(41)34-17-19-6-2-1-3-7-19)25(15-22-12-13-33-29(22)39)36-30(40)27-16-23(20-10-11-20)18-37(27)32(42)26-14-21-8-4-5-9-24(21)35-26;1-16(2)33-27(40)25(38)20(11-17-7-4-5-9-23(17)37)35-26(39)22-13-29(14-30(29,31)32)15-36(22)28(41)21-12-18-19(34-21)8-6-10-24(18)42-3;1-36-22-8-4-6-18-17(22)10-19(30-18)24(35)31-14-25(13-26(25,27)28)11-20(31)23(34)29-16(12-32)9-15-5-2-3-7-21(15)33/h2-4,7-9,11,13,15,21,24,26,38H,5-6,10,12,14,16-19H2,1H3,(H,37,44)(H,39,43);4-6,8-9,11-12,14,19,23,25,38H,2-3,7,10,13,15-18H2,1H3,(H,37,44)(H,39,43);1-9,14,20,22-23,25,27,35H,10-13,15-18H2,(H,33,39)(H,34,41)(H,36,40);6,8,10,12,16-17,20,22,34H,4-5,7,9,11,13-15H2,1-3H3,(H,33,40)(H,35,39);4,6,8,10,12,15-16,20,30H,2-3,5,7,9,11,13-14H2,1H3,(H,29,34)
InChIKeyHQNUTYHDZRXKHE-UHFFFAOYSA-N
XLogP15.97
TPSA674.94 Ų
H-Bond Donors15
H-Bond Acceptors29
Rotatable Bonds46
Heavy Atoms212
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002928.18
LogP ≤ 515.97
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

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

Analyze N-[4-(benzylamino)-3,4-dioxo-1-(2-oxocyclohexyl)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-4-cyclopropyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide;2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[1-oxo-3-(2-oxocyclohexyl)propan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;N-[3,4-dioxo-1-(2-oxocyclohexyl)-4-(propan-2-ylamino)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[3,4-dioxo-1-(2-oxocyclohexyl)-4-(pyridin-2-ylmethylamino)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

US11352363, Example 32
CID 163373220
US11352363, Example 31
CID 164812251
US11352363, Example 33
CID 165112490
N-[(2S)-1-[(3R)-2'-[2-(cyclopropylamino)-2-oxoacetyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 165414254
N-[(2S)-1-[(3R)-2'-[2-(benzylamino)-2-oxoacetyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 165414255
N-[(2S)-1-[(3R)-2'-[2-(cyclohexylamino)-2-oxoacetyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 165414256
US11352363, Example 34
CID 165112491
N-[(2S)-1-[(3R)-2'-[2-(cyclohexylamino)-2-oxoacetyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methoxy-N-methyl-1H-indole-2-carboxamide
CID 165414257
[4-cyclopropyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[3,3-di(propan-2-yl)-2-azaspiro[4.4]nonan-2-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-(trifluoromethyl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;methane;(4-methoxy-1H-indol-2-yl)-[4-methylsulfanyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone;(4-methoxy-1H-indol-2-yl)-[4-methylsulfonyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone;(4-methoxy-1H-indol-2-yl)-[3-phenyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone
CID 158754214
[4-(2,2-dimethylpropyl)-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-(trifluoromethoxy)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[4-ethoxy-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[4-ethyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;methane;[4-methoxy-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;(4-methoxy-1H-indol-2-yl)-[2,2,4-tri(propan-2-yl)pyrrolidin-1-yl]methanone
CID 162117395
(3S,6S)-N-[(2S)-4-amino-3,4-dioxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide
CID 162695294
(3S,6S)-N-[(2S)-3,4-dioxo-1-[(3S)-2-oxopiperidin-3-yl]-4-(propan-2-ylamino)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide
CID 162695357

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzylamino)-3,4-dioxo-1-(2-oxocyclohexyl)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-4-cyclopropyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide;2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[1-oxo-3-(2-oxocyclohexyl)propan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;N-[3,4-dioxo-1-(2-oxocyclohexyl)-4-(propan-2-ylamino)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[3,4-dioxo-1-(2-oxocyclohexyl)-4-(pyridin-2-ylmethylamino)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide?
The IUPAC name of N-[4-(benzylamino)-3,4-dioxo-1-(2-oxocyclohexyl)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-4-cyclopropyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide;2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[1-oxo-3-(2-oxocyclohexyl)propan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;N-[3,4-dioxo-1-(2-oxocyclohexyl)-4-(propan-2-ylamino)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[3,4-dioxo-1-(2-oxocyclohexyl)-4-(pyridin-2-ylmethylamino)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide (CID 163624011) is N-[4-(benzylamino)-3,4-dioxo-1-(2-oxocyclohexyl)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-4-cyclopropyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide;2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[1-oxo-3-(2-oxocyclohexyl)propan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;N-[3,4-dioxo-1-(2-oxocyclohexyl)-4-(propan-2-ylamino)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[3,4-dioxo-1-(2-oxocyclohexyl)-4-(pyridin-2-ylmethylamino)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide.
What is the SMILES notation for N-[4-(benzylamino)-3,4-dioxo-1-(2-oxocyclohexyl)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-4-cyclopropyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide;2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[1-oxo-3-(2-oxocyclohexyl)propan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;N-[3,4-dioxo-1-(2-oxocyclohexyl)-4-(propan-2-ylamino)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[3,4-dioxo-1-(2-oxocyclohexyl)-4-(pyridin-2-ylmethylamino)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide?
The canonical SMILES for N-[4-(benzylamino)-3,4-dioxo-1-(2-oxocyclohexyl)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-4-cyclopropyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide;2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[1-oxo-3-(2-oxocyclohexyl)propan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;N-[3,4-dioxo-1-(2-oxocyclohexyl)-4-(propan-2-ylamino)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[3,4-dioxo-1-(2-oxocyclohexyl)-4-(pyridin-2-ylmethylamino)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide is COc1cccc2[nH]c(C(=O)N3CC4(CC3C(=O)NC(C=O)CC3CCCCC3=O)CC4(F)F)cc12.COc1cccc2[nH]c(C(=O)N3CC4(CC3C(=O)NC(CC3CCCCC3=O)C(=O)C(=O)NC(C)C)CC4(F)F)cc12.COc1cccc2[nH]c(C(=O)N3CC4(CC3C(=O)NC(CC3CCCCC3=O)C(=O)C(=O)NCc3ccccc3)CC4(F)F)cc12.COc1cccc2[nH]c(C(=O)N3CC4(CC3C(=O)NC(CC3CCCCC3=O)C(=O)C(=O)NCc3ccccn3)CC4(F)F)cc12.O=C(NCc1ccccc1)C(=O)C(CC1CCNC1=O)NC(=O)C1CC(C2CC2)CN1C(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[4-(benzylamino)-3,4-dioxo-1-(2-oxocyclohexyl)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-4-cyclopropyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide;2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[1-oxo-3-(2-oxocyclohexyl)propan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;N-[3,4-dioxo-1-(2-oxocyclohexyl)-4-(propan-2-ylamino)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[3,4-dioxo-1-(2-oxocyclohexyl)-4-(pyridin-2-ylmethylamino)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide?
The InChIKey is HQNUTYHDZRXKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36F2N4O6.C33H35F2N5O6.C32H35N5O5.C30H36F2N4O6.C26H29F2N3O5/c1-46-28-13-7-11-23-22(28)15-25(38-23)32(45)40-19-33(18-34(33,35)36)16-26(40)30(43)39-24(14-21-10-5-6-12-27(21)41)29(42)31(44)37-17-20-8-3-2-4-9-20;1-46-27-11-6-9-22-21(27)14-24(38-22)31(45)40-18-32(17-33(32,34)35)15-25(40)29(43)39-23(13-19-7-2-3-10-26(19)41)28(42)30(44)37-16-20-8-4-5-12-36-20;38-28(31(41)34-17-19-6-2-1-3-7-19)25(15-22-12-13-33-29(22)39)36-30(40)27-16-23(20-10-11-20)18-37(27)32(42)26-14-21-8-4-5-9-24(21)35-26;1-16(2)33-27(40)25(38)20(11-17-7-4-5-9-23(17)37)35-26(39)22-13-29(14-30(29,31)32)15-36(22)28(41)21-12-18-19(34-21)8-6-10-24(18)42-3;1-36-22-8-4-6-18-17(22)10-19(30-18)24(35)31-14-25(13-26(25,27)28)11-20(31)23(34)29-16(12-32)9-15-5-2-3-7-21(15)33/h2-4,7-9,11,13,15,21,24,26,38H,5-6,10,12,14,16-19H2,1H3,(H,37,44)(H,39,43);4-6,8-9,11-12,14,19,23,25,38H,2-3,7,10,13,15-18H2,1H3,(H,37,44)(H,39,43);1-9,14,20,22-23,25,27,35H,10-13,15-18H2,(H,33,39)(H,34,41)(H,36,40);6,8,10,12,16-17,20,22,34H,4-5,7,9,11,13-15H2,1-3H3,(H,33,40)(H,35,39);4,6,8,10,12,15-16,20,30H,2-3,5,7,9,11,13-14H2,1H3,(H,29,34).
What are the key properties of N-[4-(benzylamino)-3,4-dioxo-1-(2-oxocyclohexyl)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-4-cyclopropyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide;2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[1-oxo-3-(2-oxocyclohexyl)propan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;N-[3,4-dioxo-1-(2-oxocyclohexyl)-4-(propan-2-ylamino)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[3,4-dioxo-1-(2-oxocyclohexyl)-4-(pyridin-2-ylmethylamino)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide?
N-[4-(benzylamino)-3,4-dioxo-1-(2-oxocyclohexyl)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-4-cyclopropyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide;2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[1-oxo-3-(2-oxocyclohexyl)propan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;N-[3,4-dioxo-1-(2-oxocyclohexyl)-4-(propan-2-ylamino)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[3,4-dioxo-1-(2-oxocyclohexyl)-4-(pyridin-2-ylmethylamino)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide has a molecular weight of 2928.18 g/mol, XLogP of 15.97, 46 rotatable bonds, 15 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzylamino)-3,4-dioxo-1-(2-oxocyclohexyl)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[4-(benzylamino)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-4-cyclopropyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide;2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[1-oxo-3-(2-oxocyclohexyl)propan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;N-[3,4-dioxo-1-(2-oxocyclohexyl)-4-(propan-2-ylamino)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[3,4-dioxo-1-(2-oxocyclohexyl)-4-(pyridin-2-ylmethylamino)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide is sourced from PubChem (CID 163624011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).