1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methylphenyl)methyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;1-(6-chloro-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-4-[(4-methoxyphenyl)methyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;1-[4-(2,2-dimethylpyrrolidine-1-carbonyl)piperidine-2-carbonyl]-4-[(4-methoxyphenyl)methyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(pyrrolidine-1-carbonyl)piperidine-2-carbonyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;molecular hydrogen

C157H195ClF3N29O17 — CID 167578606

IUPAC1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methylphenyl)methyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;1-(6-chloro-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-4-[(4-methoxyphenyl)methyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;1-[4-(2,2-dimethylpyrrolidine-1-carbonyl)piperidine-2-carbonyl]-4-[(4-methoxyphenyl)methyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(pyrrolidine-1-carbonyl)piperidine-2-carbonyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;molecular hydrogen
SMILESCOc1ccc(CC2CC(C(=O)NCc3cc4cnccc4[nH]3)N(C(=O)C3CC(C(=O)N4CCCC4(C)C)CCN3)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3cc4cnccc4[nH]3)N(C(=O)C3CC(C(=O)N4CCCC4)CCN3)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3cc4cnccc4[nH]3)N(C(=O)C3NCCc4cc(Cl)ccc43)C2)cc1.Cc1ccc(CC2CC(C(=O)NCc3cc4cnccc4[nH]3)N(C(=O)C(N)CCC(=O)N3CCCC3)C2)cc1.NC(CCC(=O)N1CCCC1)C(=O)N1CC(Cc2ccc(C(F)(F)F)cc2)CC1C(=O)NCc1cc2cnccc2[nH]1.[H][H].[H][H].[H][H]
InChIInChI=1S/C34H44N6O4.C32H40N6O4.C31H32ClN5O3.C30H35F3N6O3.C30H38N6O3.3H2/c1-34(2)11-4-14-40(34)32(42)24-9-13-36-29(18-24)33(43)39-21-23(15-22-5-7-27(44-3)8-6-22)16-30(39)31(41)37-20-26-17-25-19-35-12-10-28(25)38-26;1-42-26-6-4-21(5-7-26)14-22-15-29(30(39)35-19-25-16-24-18-33-10-9-27(24)36-25)38(20-22)32(41)28-17-23(8-11-34-28)31(40)37-12-2-3-13-37;1-40-25-5-2-19(3-6-25)12-20-13-28(30(38)35-17-24-15-22-16-33-10-9-27(22)36-24)37(18-20)31(39)29-26-7-4-23(32)14-21(26)8-11-34-29;31-30(32,33)22-5-3-19(4-6-22)13-20-14-26(28(41)36-17-23-15-21-16-35-10-9-25(21)37-23)39(18-20)29(42)24(34)7-8-27(40)38-11-1-2-12-38;1-20-4-6-21(7-5-20)14-22-15-27(29(38)33-18-24-16-23-17-32-11-10-26(23)34-24)36(19-22)30(39)25(31)8-9-28(37)35-12-2-3-13-35;;;/h5-8,10,12,17,19,23-24,29-30,36,38H,4,9,11,13-16,18,20-21H2,1-3H3,(H,37,41);4-7,9-10,16,18,22-23,28-29,34,36H,2-3,8,11-15,17,19-20H2,1H3,(H,35,39);2-7,9-10,14-16,20,28-29,34,36H,8,11-13,17-18H2,1H3,(H,35,38);3-6,9-10,15-16,20,24,26,37H,1-2,7-8,11-14,17-18,34H2,(H,36,41);4-7,10-11,16-17,22,25,27,34H,2-3,8-9,12-15,18-19,31H2,1H3,(H,33,38);3*1H
InChIKeyGWCWZOLNXHUSAX-UHFFFAOYSA-N
MW2852.92 g/mol
LogP17.05
Rot. Bonds41

About 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methylphenyl)methyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;1-(6-chloro-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-4-[(4-methoxyphenyl)methyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;1-[4-(2,2-dimethylpyrrolidine-1-carbonyl)piperidine-2-carbonyl]-4-[(4-methoxyphenyl)methyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(pyrrolidine-1-carbonyl)piperidine-2-carbonyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;molecular hydrogen

1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methylphenyl)methyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;1-(6-chloro-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-4-[(4-methoxyphenyl)methyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;1-[4-(2,2-dimethylpyrrolidine-1-carbonyl)piperidine-2-carbonyl]-4-[(4-methoxyphenyl)methyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(pyrrolidine-1-carbonyl)piperidine-2-carbonyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;molecular hydrogen (PubChem CID 167578606) has the molecular formula C157H195ClF3N29O17 and a molecular weight of 2852.92 g/mol. Its IUPAC name is 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methylphenyl)methyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;1-(6-chloro-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-4-[(4-methoxyphenyl)methyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;1-[4-(2,2-dimethylpyrrolidine-1-carbonyl)piperidine-2-carbonyl]-4-[(4-methoxyphenyl)methyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(pyrrolidine-1-carbonyl)piperidine-2-carbonyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methylphenyl)methyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;1-(6-chloro-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-4-[(4-methoxyphenyl)methyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;1-[4-(2,2-dimethylpyrrolidine-1-carbonyl)piperidine-2-carbonyl]-4-[(4-methoxyphenyl)methyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(pyrrolidine-1-carbonyl)piperidine-2-carbonyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;molecular hydrogen
PubChem CID167578606
Molecular FormulaC157H195ClF3N29O17
Molecular Weight2852.92 g/mol
Exact Mass2850.49
IUPAC Name1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methylphenyl)methyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;1-(6-chloro-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-4-[(4-methoxyphenyl)methyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;1-[4-(2,2-dimethylpyrrolidine-1-carbonyl)piperidine-2-carbonyl]-4-[(4-methoxyphenyl)methyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(pyrrolidine-1-carbonyl)piperidine-2-carbonyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;molecular hydrogen
SMILESCOc1ccc(CC2CC(C(=O)NCc3cc4cnccc4[nH]3)N(C(=O)C3CC(C(=O)N4CCCC4(C)C)CCN3)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3cc4cnccc4[nH]3)N(C(=O)C3CC(C(=O)N4CCCC4)CCN3)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3cc4cnccc4[nH]3)N(C(=O)C3NCCc4cc(Cl)ccc43)C2)cc1.Cc1ccc(CC2CC(C(=O)NCc3cc4cnccc4[nH]3)N(C(=O)C(N)CCC(=O)N3CCCC3)C2)cc1.NC(CCC(=O)N1CCCC1)C(=O)N1CC(Cc2ccc(C(F)(F)F)cc2)CC1C(=O)NCc1cc2cnccc2[nH]1.[H][H].[H][H].[H][H]
InChIInChI=1S/C34H44N6O4.C32H40N6O4.C31H32ClN5O3.C30H35F3N6O3.C30H38N6O3.3H2/c1-34(2)11-4-14-40(34)32(42)24-9-13-36-29(18-24)33(43)39-21-23(15-22-5-7-27(44-3)8-6-22)16-30(39)31(41)37-20-26-17-25-19-35-12-10-28(25)38-26;1-42-26-6-4-21(5-7-26)14-22-15-29(30(39)35-19-25-16-24-18-33-10-9-27(24)36-25)38(20-22)32(41)28-17-23(8-11-34-28)31(40)37-12-2-3-13-37;1-40-25-5-2-19(3-6-25)12-20-13-28(30(38)35-17-24-15-22-16-33-10-9-27(22)36-24)37(18-20)31(39)29-26-7-4-23(32)14-21(26)8-11-34-29;31-30(32,33)22-5-3-19(4-6-22)13-20-14-26(28(41)36-17-23-15-21-16-35-10-9-25(21)37-23)39(18-20)29(42)24(34)7-8-27(40)38-11-1-2-12-38;1-20-4-6-21(7-5-20)14-22-15-27(29(38)33-18-24-16-23-17-32-11-10-26(23)34-24)36(19-22)30(39)25(31)8-9-28(37)35-12-2-3-13-35;;;/h5-8,10,12,17,19,23-24,29-30,36,38H,4,9,11,13-16,18,20-21H2,1-3H3,(H,37,41);4-7,9-10,16,18,22-23,28-29,34,36H,2-3,8,11-15,17,19-20H2,1H3,(H,35,39);2-7,9-10,14-16,20,28-29,34,36H,8,11-13,17-18H2,1H3,(H,35,38);3-6,9-10,15-16,20,24,26,37H,1-2,7-8,11-14,17-18,34H2,(H,36,41);4-7,10-11,16-17,22,25,27,34H,2-3,8-9,12-15,18-19,31H2,1H3,(H,33,38);3*1H
InChIKeyGWCWZOLNXHUSAX-UHFFFAOYSA-N
XLogP17.05
TPSA587.51 Ų
H-Bond Donors15
H-Bond Acceptors27
Rotatable Bonds41
Heavy Atoms207
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002852.92
LogP ≤ 517.05
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1027

Analyze 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methylphenyl)methyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;1-(6-chloro-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-4-[(4-methoxyphenyl)methyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;1-[4-(2,2-dimethylpyrrolidine-1-carbonyl)piperidine-2-carbonyl]-4-[(4-methoxyphenyl)methyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(pyrrolidine-1-carbonyl)piperidine-2-carbonyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;molecular hydrogen with MolForge

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Related Compounds

N-[3-[5-[[5-[[2,6-bis(trifluoromethyl)phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]-6-[4-chloro-3-[[5-[[1-[3-(piperazine-2-carbonylamino)propyl]-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]piperazine-2-carboxamide
CID 129203828
4-[[1-(3-Aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperazin-2-one;3-[5-[[2-[(2-chlorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;3-[3-(2-ethyl-4-methoxyphenyl)-5-[(4-ethylpiperidin-1-yl)methyl]indol-1-yl]propan-1-amine;3-[3-(2-ethyl-4-methylphenyl)-5-[(4-ethylpiperidin-1-yl)methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[(4-methylpiperidin-1-yl)methyl]indol-1-yl]propan-1-amine
CID 158915963
5-[5-[[4-[(2-Chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one;5-[5-[[4-[(2,6-dimethylphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one;5-[5-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one;5-[5-[[4-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one;1-piperidin-2-yl-5-[3-[4-(trifluoromethoxy)phenyl]-5-[[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]indol-1-yl]pentan-1-one
CID 159015494
bis(2-[1-[2-(3-chloro-4-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetic acid);2-[1-[(E)-3-[4-(1,1-difluoroethoxy)phenyl]prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(3,4-dihydro-2H-chromen-6-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]acetamide;dihydrochloride
CID 159453720
5-chloro-N-[[1-[2-(4-methylphenyl)propan-2-yl]piperidin-3-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide;bis(N-(cyclohexylmethyl)-N-ethyl-5-methoxy-1H-indole-2-carboxamide);N-ethyl-N-[[1-[2-(4-ethylphenyl)propan-2-yl]piperidin-3-yl]methyl]-5-methoxy-1H-indole-2-carboxamide;N-ethyl-5-methoxy-N-[[1-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-N-[[1-[1-(4-methylphenyl)ethyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-N-[[1-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide
CID 160532285
5-[5-[[5-[(2-Chlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one;5-[5-[[5-[(2-fluorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one;5-[5-[[5-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one;1-piperidin-2-yl-5-[3-[4-(trifluoromethoxy)phenyl]-5-[[5-[[2-(trifluoromethyl)phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]indol-1-yl]pentan-1-one
CID 160928159
1-(1-Aminocyclohexyl)-5-[5-[[5-[(2-chlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[[5-[(2,6-dimethylphenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[[5-[(2-methylphenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[[5-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[3-[4-(trifluoromethoxy)phenyl]-5-[[5-[[2-(trifluoromethyl)phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]indol-1-yl]pentan-1-one
CID 160952412
5-[5-[[5-[(2-Chlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one;5-[5-[[5-[(2,6-dimethylphenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one;5-[5-[[5-[(2-fluorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one;5-[5-[[5-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-1-piperidin-2-ylpentan-1-one;1-piperidin-2-yl-5-[3-[4-(trifluoromethoxy)phenyl]-5-[[5-[[2-(trifluoromethyl)phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]indol-1-yl]pentan-1-one
CID 161253555
5-[4-(4-chlorophenyl)-3-oxobutyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[3-(3,4-dichlorophenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-(3-oxo-3-phenylpropyl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[2-(trifluoromethyl)phenyl]propyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[4-(trifluoromethyl)phenyl]propyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3H-isoindol-1-one;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]-3H-isoindol-1-one
CID 161312992
CID 161581142
CID 161581142
(3-Chlorophenyl)-[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(2,3-dimethylphenyl)methanone;(4-fluorophenyl)-[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-phenylmethanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 165074931
1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide;2-amino-5-pyrrolidin-1-yl-1-[2-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)propanoyl]-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-yl]pentane-1,5-dione;1-[1-(6-chloro-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)propan-1-one
CID 167669112

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methylphenyl)methyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;1-(6-chloro-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-4-[(4-methoxyphenyl)methyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;1-[4-(2,2-dimethylpyrrolidine-1-carbonyl)piperidine-2-carbonyl]-4-[(4-methoxyphenyl)methyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(pyrrolidine-1-carbonyl)piperidine-2-carbonyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;molecular hydrogen?
The IUPAC name of 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methylphenyl)methyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;1-(6-chloro-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-4-[(4-methoxyphenyl)methyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;1-[4-(2,2-dimethylpyrrolidine-1-carbonyl)piperidine-2-carbonyl]-4-[(4-methoxyphenyl)methyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(pyrrolidine-1-carbonyl)piperidine-2-carbonyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;molecular hydrogen (CID 167578606) is 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methylphenyl)methyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;1-(6-chloro-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-4-[(4-methoxyphenyl)methyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;1-[4-(2,2-dimethylpyrrolidine-1-carbonyl)piperidine-2-carbonyl]-4-[(4-methoxyphenyl)methyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(pyrrolidine-1-carbonyl)piperidine-2-carbonyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;molecular hydrogen.
What is the SMILES notation for 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methylphenyl)methyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;1-(6-chloro-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-4-[(4-methoxyphenyl)methyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;1-[4-(2,2-dimethylpyrrolidine-1-carbonyl)piperidine-2-carbonyl]-4-[(4-methoxyphenyl)methyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(pyrrolidine-1-carbonyl)piperidine-2-carbonyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;molecular hydrogen?
The canonical SMILES for 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methylphenyl)methyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;1-(6-chloro-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-4-[(4-methoxyphenyl)methyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;1-[4-(2,2-dimethylpyrrolidine-1-carbonyl)piperidine-2-carbonyl]-4-[(4-methoxyphenyl)methyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(pyrrolidine-1-carbonyl)piperidine-2-carbonyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;molecular hydrogen is COc1ccc(CC2CC(C(=O)NCc3cc4cnccc4[nH]3)N(C(=O)C3CC(C(=O)N4CCCC4(C)C)CCN3)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3cc4cnccc4[nH]3)N(C(=O)C3CC(C(=O)N4CCCC4)CCN3)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3cc4cnccc4[nH]3)N(C(=O)C3NCCc4cc(Cl)ccc43)C2)cc1.Cc1ccc(CC2CC(C(=O)NCc3cc4cnccc4[nH]3)N(C(=O)C(N)CCC(=O)N3CCCC3)C2)cc1.NC(CCC(=O)N1CCCC1)C(=O)N1CC(Cc2ccc(C(F)(F)F)cc2)CC1C(=O)NCc1cc2cnccc2[nH]1.[H][H].[H][H].[H][H].
What is the InChIKey of 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methylphenyl)methyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;1-(6-chloro-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-4-[(4-methoxyphenyl)methyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;1-[4-(2,2-dimethylpyrrolidine-1-carbonyl)piperidine-2-carbonyl]-4-[(4-methoxyphenyl)methyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(pyrrolidine-1-carbonyl)piperidine-2-carbonyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;molecular hydrogen?
The InChIKey is GWCWZOLNXHUSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H44N6O4.C32H40N6O4.C31H32ClN5O3.C30H35F3N6O3.C30H38N6O3.3H2/c1-34(2)11-4-14-40(34)32(42)24-9-13-36-29(18-24)33(43)39-21-23(15-22-5-7-27(44-3)8-6-22)16-30(39)31(41)37-20-26-17-25-19-35-12-10-28(25)38-26;1-42-26-6-4-21(5-7-26)14-22-15-29(30(39)35-19-25-16-24-18-33-10-9-27(24)36-25)38(20-22)32(41)28-17-23(8-11-34-28)31(40)37-12-2-3-13-37;1-40-25-5-2-19(3-6-25)12-20-13-28(30(38)35-17-24-15-22-16-33-10-9-27(22)36-24)37(18-20)31(39)29-26-7-4-23(32)14-21(26)8-11-34-29;31-30(32,33)22-5-3-19(4-6-22)13-20-14-26(28(41)36-17-23-15-21-16-35-10-9-25(21)37-23)39(18-20)29(42)24(34)7-8-27(40)38-11-1-2-12-38;1-20-4-6-21(7-5-20)14-22-15-27(29(38)33-18-24-16-23-17-32-11-10-26(23)34-24)36(19-22)30(39)25(31)8-9-28(37)35-12-2-3-13-35;;;/h5-8,10,12,17,19,23-24,29-30,36,38H,4,9,11,13-16,18,20-21H2,1-3H3,(H,37,41);4-7,9-10,16,18,22-23,28-29,34,36H,2-3,8,11-15,17,19-20H2,1H3,(H,35,39);2-7,9-10,14-16,20,28-29,34,36H,8,11-13,17-18H2,1H3,(H,35,38);3-6,9-10,15-16,20,24,26,37H,1-2,7-8,11-14,17-18,34H2,(H,36,41);4-7,10-11,16-17,22,25,27,34H,2-3,8-9,12-15,18-19,31H2,1H3,(H,33,38);3*1H.
What are the key properties of 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methylphenyl)methyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;1-(6-chloro-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-4-[(4-methoxyphenyl)methyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;1-[4-(2,2-dimethylpyrrolidine-1-carbonyl)piperidine-2-carbonyl]-4-[(4-methoxyphenyl)methyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(pyrrolidine-1-carbonyl)piperidine-2-carbonyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;molecular hydrogen?
1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methylphenyl)methyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;1-(6-chloro-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-4-[(4-methoxyphenyl)methyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;1-[4-(2,2-dimethylpyrrolidine-1-carbonyl)piperidine-2-carbonyl]-4-[(4-methoxyphenyl)methyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(pyrrolidine-1-carbonyl)piperidine-2-carbonyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;molecular hydrogen has a molecular weight of 2852.92 g/mol, XLogP of 17.05, 41 rotatable bonds, 15 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methylphenyl)methyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;1-(6-chloro-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-4-[(4-methoxyphenyl)methyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;1-[4-(2,2-dimethylpyrrolidine-1-carbonyl)piperidine-2-carbonyl]-4-[(4-methoxyphenyl)methyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(pyrrolidine-1-carbonyl)piperidine-2-carbonyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 167578606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).