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

C157H183F2N19O26 — CID 163854774

IUPACN-[4-(benzylamino)-3,4-dioxo-1-(2-oxocyclopentyl)butan-2-yl]-2,2-difluoro-5-(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-cyclohexyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide;N-[4-(ethylamino)-3-oxo-1-(2-oxocyclopentyl)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-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-oxocyclopentyl)pentan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxocyclopentyl)-4-phenylmethoxybutan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
SMILESCCC(=O)C(CC1CCCC1=O)NC(=O)C1CC2(CC2)CN1C(=O)c1cc2c(OC)cccc2[nH]1.CCNCC(=O)C(CC1CCCC1=O)NC(=O)C1C2CCCC2CN1C(=O)c1cc2c(OC)cccc2[nH]1.COc1cccc2[nH]c(C(=O)N3CC4CCCC4C3C(=O)NC(CC3CCCC3=O)C(=O)COCc3ccccc3)cc12.O=C(NCc1ccccc1)C(=O)C(CC1CCCC1=O)NC(=O)C1CC2(CN1C(=O)c1cc3ccccc3[nH]1)CC2(F)F.O=C(NCc1ccccc1)C(=O)C(CC1CCNC1=O)NC(=O)C1CC(C2CCCCC2)CN1C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C35H41N5O5.C34H39N3O6.C32H32F2N4O5.C29H38N4O5.C27H33N3O5/c41-31(34(44)37-20-22-9-3-1-4-10-22)28(18-25-15-16-36-32(25)42)39-33(43)30-19-26(23-11-5-2-6-12-23)21-40(30)35(45)29-17-24-13-7-8-14-27(24)38-29;1-42-31-15-7-13-26-25(31)17-28(35-26)34(41)37-18-23-11-5-12-24(23)32(37)33(40)36-27(16-22-10-6-14-29(22)38)30(39)20-43-19-21-8-3-2-4-9-21;33-32(34)17-31(32)15-25(38(18-31)30(43)24-13-20-9-4-5-11-22(20)36-24)28(41)37-23(14-21-10-6-12-26(21)39)27(40)29(42)35-16-19-7-2-1-3-8-19;1-3-30-15-25(35)22(13-17-7-5-11-24(17)34)32-28(36)27-19-9-4-8-18(19)16-33(27)29(37)23-14-20-21(31-23)10-6-12-26(20)38-2;1-3-22(31)19(12-16-6-4-8-23(16)32)29-25(33)21-14-27(10-11-27)15-30(21)26(34)20-13-17-18(28-20)7-5-9-24(17)35-2/h1,3-4,7-10,13-14,17,23,25-26,28,30,38H,2,5-6,11-12,15-16,18-21H2,(H,36,42)(H,37,44)(H,39,43);2-4,7-9,13,15,17,22-24,27,32,35H,5-6,10-12,14,16,18-20H2,1H3,(H,36,40);1-5,7-9,11,13,21,23,25,36H,6,10,12,14-18H2,(H,35,42)(H,37,41);6,10,12,14,17-19,22,27,30-31H,3-5,7-9,11,13,15-16H2,1-2H3,(H,32,36);5,7,9,13,16,19,21,28H,3-4,6,8,10-12,14-15H2,1-2H3,(H,29,33)
InChIKeyOXJRPADUBBBTLH-UHFFFAOYSA-N
MW2790.29 g/mol
LogP17.69
Rot. Bonds48

About N-[4-(benzylamino)-3,4-dioxo-1-(2-oxocyclopentyl)butan-2-yl]-2,2-difluoro-5-(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-cyclohexyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide;N-[4-(ethylamino)-3-oxo-1-(2-oxocyclopentyl)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-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-oxocyclopentyl)pentan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxocyclopentyl)-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-oxocyclopentyl)butan-2-yl]-2,2-difluoro-5-(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-cyclohexyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide;N-[4-(ethylamino)-3-oxo-1-(2-oxocyclopentyl)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-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-oxocyclopentyl)pentan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxocyclopentyl)-4-phenylmethoxybutan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide (PubChem CID 163854774) has the molecular formula C157H183F2N19O26 and a molecular weight of 2790.29 g/mol. Its IUPAC name is N-[4-(benzylamino)-3,4-dioxo-1-(2-oxocyclopentyl)butan-2-yl]-2,2-difluoro-5-(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-cyclohexyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide;N-[4-(ethylamino)-3-oxo-1-(2-oxocyclopentyl)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-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-oxocyclopentyl)pentan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxocyclopentyl)-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-oxocyclopentyl)butan-2-yl]-2,2-difluoro-5-(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-cyclohexyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide;N-[4-(ethylamino)-3-oxo-1-(2-oxocyclopentyl)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-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-oxocyclopentyl)pentan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxocyclopentyl)-4-phenylmethoxybutan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
PubChem CID163854774
Molecular FormulaC157H183F2N19O26
Molecular Weight2790.29 g/mol
Exact Mass2788.35
IUPAC NameN-[4-(benzylamino)-3,4-dioxo-1-(2-oxocyclopentyl)butan-2-yl]-2,2-difluoro-5-(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-cyclohexyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide;N-[4-(ethylamino)-3-oxo-1-(2-oxocyclopentyl)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-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-oxocyclopentyl)pentan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxocyclopentyl)-4-phenylmethoxybutan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
SMILESCCC(=O)C(CC1CCCC1=O)NC(=O)C1CC2(CC2)CN1C(=O)c1cc2c(OC)cccc2[nH]1.CCNCC(=O)C(CC1CCCC1=O)NC(=O)C1C2CCCC2CN1C(=O)c1cc2c(OC)cccc2[nH]1.COc1cccc2[nH]c(C(=O)N3CC4CCCC4C3C(=O)NC(CC3CCCC3=O)C(=O)COCc3ccccc3)cc12.O=C(NCc1ccccc1)C(=O)C(CC1CCCC1=O)NC(=O)C1CC2(CN1C(=O)c1cc3ccccc3[nH]1)CC2(F)F.O=C(NCc1ccccc1)C(=O)C(CC1CCNC1=O)NC(=O)C1CC(C2CCCCC2)CN1C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C35H41N5O5.C34H39N3O6.C32H32F2N4O5.C29H38N4O5.C27H33N3O5/c41-31(34(44)37-20-22-9-3-1-4-10-22)28(18-25-15-16-36-32(25)42)39-33(43)30-19-26(23-11-5-2-6-12-23)21-40(30)35(45)29-17-24-13-7-8-14-27(24)38-29;1-42-31-15-7-13-26-25(31)17-28(35-26)34(41)37-18-23-11-5-12-24(23)32(37)33(40)36-27(16-22-10-6-14-29(22)38)30(39)20-43-19-21-8-3-2-4-9-21;33-32(34)17-31(32)15-25(38(18-31)30(43)24-13-20-9-4-5-11-22(20)36-24)28(41)37-23(14-21-10-6-12-26(21)39)27(40)29(42)35-16-19-7-2-1-3-8-19;1-3-30-15-25(35)22(13-17-7-5-11-24(17)34)32-28(36)27-19-9-4-8-18(19)16-33(27)29(37)23-14-20-21(31-23)10-6-12-26(20)38-2;1-3-22(31)19(12-16-6-4-8-23(16)32)29-25(33)21-14-27(10-11-27)15-30(21)26(34)20-13-17-18(28-20)7-5-9-24(17)35-2/h1,3-4,7-10,13-14,17,23,25-26,28,30,38H,2,5-6,11-12,15-16,18-21H2,(H,36,42)(H,37,44)(H,39,43);2-4,7-9,13,15,17,22-24,27,32,35H,5-6,10-12,14,16,18-20H2,1H3,(H,36,40);1-5,7-9,11,13,21,23,25,36H,6,10,12,14-18H2,(H,35,42)(H,37,41);6,10,12,14,17-19,22,27,30-31H,3-5,7-9,11,13,15-16H2,1-2H3,(H,32,36);5,7,9,13,16,19,21,28H,3-4,6,8,10-12,14-15H2,1-2H3,(H,29,33)
InChIKeyOXJRPADUBBBTLH-UHFFFAOYSA-N
XLogP17.69
TPSA615.88 Ų
H-Bond Donors14
H-Bond Acceptors27
Rotatable Bonds48
Heavy Atoms204
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002790.29
LogP ≤ 517.69
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze N-[4-(benzylamino)-3,4-dioxo-1-(2-oxocyclopentyl)butan-2-yl]-2,2-difluoro-5-(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-cyclohexyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide;N-[4-(ethylamino)-3-oxo-1-(2-oxocyclopentyl)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-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-oxocyclopentyl)pentan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxocyclopentyl)-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-oxocyclopentyl)butan-2-yl]-2,2-difluoro-5-(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-cyclohexyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide;N-[4-(ethylamino)-3-oxo-1-(2-oxocyclopentyl)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-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-oxocyclopentyl)pentan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxocyclopentyl)-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-oxocyclopentyl)butan-2-yl]-2,2-difluoro-5-(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-cyclohexyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide;N-[4-(ethylamino)-3-oxo-1-(2-oxocyclopentyl)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-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-oxocyclopentyl)pentan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxocyclopentyl)-4-phenylmethoxybutan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide (CID 163854774) is N-[4-(benzylamino)-3,4-dioxo-1-(2-oxocyclopentyl)butan-2-yl]-2,2-difluoro-5-(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-cyclohexyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide;N-[4-(ethylamino)-3-oxo-1-(2-oxocyclopentyl)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-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-oxocyclopentyl)pentan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxocyclopentyl)-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-oxocyclopentyl)butan-2-yl]-2,2-difluoro-5-(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-cyclohexyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide;N-[4-(ethylamino)-3-oxo-1-(2-oxocyclopentyl)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-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-oxocyclopentyl)pentan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxocyclopentyl)-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-oxocyclopentyl)butan-2-yl]-2,2-difluoro-5-(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-cyclohexyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide;N-[4-(ethylamino)-3-oxo-1-(2-oxocyclopentyl)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-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-oxocyclopentyl)pentan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxocyclopentyl)-4-phenylmethoxybutan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide is CCC(=O)C(CC1CCCC1=O)NC(=O)C1CC2(CC2)CN1C(=O)c1cc2c(OC)cccc2[nH]1.CCNCC(=O)C(CC1CCCC1=O)NC(=O)C1C2CCCC2CN1C(=O)c1cc2c(OC)cccc2[nH]1.COc1cccc2[nH]c(C(=O)N3CC4CCCC4C3C(=O)NC(CC3CCCC3=O)C(=O)COCc3ccccc3)cc12.O=C(NCc1ccccc1)C(=O)C(CC1CCCC1=O)NC(=O)C1CC2(CN1C(=O)c1cc3ccccc3[nH]1)CC2(F)F.O=C(NCc1ccccc1)C(=O)C(CC1CCNC1=O)NC(=O)C1CC(C2CCCCC2)CN1C(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[4-(benzylamino)-3,4-dioxo-1-(2-oxocyclopentyl)butan-2-yl]-2,2-difluoro-5-(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-cyclohexyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide;N-[4-(ethylamino)-3-oxo-1-(2-oxocyclopentyl)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-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-oxocyclopentyl)pentan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxocyclopentyl)-4-phenylmethoxybutan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide?
The InChIKey is OXJRPADUBBBTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41N5O5.C34H39N3O6.C32H32F2N4O5.C29H38N4O5.C27H33N3O5/c41-31(34(44)37-20-22-9-3-1-4-10-22)28(18-25-15-16-36-32(25)42)39-33(43)30-19-26(23-11-5-2-6-12-23)21-40(30)35(45)29-17-24-13-7-8-14-27(24)38-29;1-42-31-15-7-13-26-25(31)17-28(35-26)34(41)37-18-23-11-5-12-24(23)32(37)33(40)36-27(16-22-10-6-14-29(22)38)30(39)20-43-19-21-8-3-2-4-9-21;33-32(34)17-31(32)15-25(38(18-31)30(43)24-13-20-9-4-5-11-22(20)36-24)28(41)37-23(14-21-10-6-12-26(21)39)27(40)29(42)35-16-19-7-2-1-3-8-19;1-3-30-15-25(35)22(13-17-7-5-11-24(17)34)32-28(36)27-19-9-4-8-18(19)16-33(27)29(37)23-14-20-21(31-23)10-6-12-26(20)38-2;1-3-22(31)19(12-16-6-4-8-23(16)32)29-25(33)21-14-27(10-11-27)15-30(21)26(34)20-13-17-18(28-20)7-5-9-24(17)35-2/h1,3-4,7-10,13-14,17,23,25-26,28,30,38H,2,5-6,11-12,15-16,18-21H2,(H,36,42)(H,37,44)(H,39,43);2-4,7-9,13,15,17,22-24,27,32,35H,5-6,10-12,14,16,18-20H2,1H3,(H,36,40);1-5,7-9,11,13,21,23,25,36H,6,10,12,14-18H2,(H,35,42)(H,37,41);6,10,12,14,17-19,22,27,30-31H,3-5,7-9,11,13,15-16H2,1-2H3,(H,32,36);5,7,9,13,16,19,21,28H,3-4,6,8,10-12,14-15H2,1-2H3,(H,29,33).
What are the key properties of N-[4-(benzylamino)-3,4-dioxo-1-(2-oxocyclopentyl)butan-2-yl]-2,2-difluoro-5-(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-cyclohexyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide;N-[4-(ethylamino)-3-oxo-1-(2-oxocyclopentyl)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-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-oxocyclopentyl)pentan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxocyclopentyl)-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-oxocyclopentyl)butan-2-yl]-2,2-difluoro-5-(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-cyclohexyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide;N-[4-(ethylamino)-3-oxo-1-(2-oxocyclopentyl)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-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-oxocyclopentyl)pentan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxocyclopentyl)-4-phenylmethoxybutan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide has a molecular weight of 2790.29 g/mol, XLogP of 17.69, 48 rotatable bonds, 14 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzylamino)-3,4-dioxo-1-(2-oxocyclopentyl)butan-2-yl]-2,2-difluoro-5-(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-cyclohexyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide;N-[4-(ethylamino)-3-oxo-1-(2-oxocyclopentyl)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-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-oxocyclopentyl)pentan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxocyclopentyl)-4-phenylmethoxybutan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide is sourced from PubChem (CID 163854774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).