N-[(1-aminoisoquinolin-6-yl)methyl]-1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(3-chlorophenyl)methyl]pyrrolidine-2-carboxamide;N-[(1-aminoisoquinolin-7-yl)methyl]-1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-phenylpyrrolidine-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1,3-dimethylindazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;4-[(2-chlorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide

C147H176Cl2F3N31O14 — CID 167641970

IUPACN-[(1-aminoisoquinolin-6-yl)methyl]-1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(3-chlorophenyl)methyl]pyrrolidine-2-carboxamide;N-[(1-aminoisoquinolin-7-yl)methyl]-1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-phenylpyrrolidine-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1,3-dimethylindazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;4-[(2-chlorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCc1nn(C)c2ccc(CNC(=O)C3CC(Cc4ccncc4)CN3C(=O)C(N)CCC(=O)N3CCCC3)cc12.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccccc4Cl)CN3C(=O)C3CC(c4ccccc4)CN3)ccc21.Nc1nccc2cc(CNC(=O)C3CC(C(F)(F)F)CN3C(=O)C(N)CCC(=O)N3CCCC3)ccc12.Nc1nccc2cc(CNC(=O)C3CC(Cc4cccc(Cl)c4)CN3C(=O)C(N)CCC(=O)N3CCCC3)ccc12.Nc1nccc2ccc(CNC(=O)C3CC(c4ccccc4)CN3C(=O)C(N)CCC(=O)N3CCCC3)cc12
InChIInChI=1S/C31H37ClN6O3.C31H33ClN6O2.C30H39N7O3.C30H36N6O3.C25H31F3N6O3/c32-24-5-3-4-20(16-24)14-22-17-27(30(40)36-18-21-6-7-25-23(15-21)10-11-35-29(25)34)38(19-22)31(41)26(33)8-9-28(39)37-12-1-2-13-37;1-37-28-12-11-20(14-26(28)35-36-37)17-34-30(39)29-15-21(13-23-9-5-6-10-25(23)32)19-38(29)31(40)27-16-24(18-33-27)22-7-3-2-4-8-22;1-20-24-16-22(5-7-26(24)35(2)34-20)18-33-29(39)27-17-23(15-21-9-11-32-12-10-21)19-37(27)30(40)25(31)6-8-28(38)36-13-3-4-14-36;31-25(10-11-27(37)35-14-4-5-15-35)30(39)36-19-23(21-6-2-1-3-7-21)17-26(36)29(38)34-18-20-8-9-22-12-13-33-28(32)24(22)16-20;26-25(27,28)17-12-20(23(36)32-13-15-3-4-18-16(11-15)7-8-31-22(18)30)34(14-17)24(37)19(29)5-6-21(35)33-9-1-2-10-33/h3-7,10-11,15-16,22,26-27H,1-2,8-9,12-14,17-19,33H2,(H2,34,35)(H,36,40);2-12,14,21,24,27,29,33H,13,15-19H2,1H3,(H,34,39);5,7,9-12,16,23,25,27H,3-4,6,8,13-15,17-19,31H2,1-2H3,(H,33,39);1-3,6-9,12-13,16,23,25-26H,4-5,10-11,14-15,17-19,31H2,(H2,32,33)(H,34,38);3-4,7-8,11,17,19-20H,1-2,5-6,9-10,12-14,29H2,(H2,30,31)(H,32,36)
InChIKeyPHENZCUNWVWMRF-UHFFFAOYSA-N
MW2729.13 g/mol
LogP13.69
Rot. Bonds40

About N-[(1-aminoisoquinolin-6-yl)methyl]-1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(3-chlorophenyl)methyl]pyrrolidine-2-carboxamide;N-[(1-aminoisoquinolin-7-yl)methyl]-1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-phenylpyrrolidine-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1,3-dimethylindazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;4-[(2-chlorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide

N-[(1-aminoisoquinolin-6-yl)methyl]-1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(3-chlorophenyl)methyl]pyrrolidine-2-carboxamide;N-[(1-aminoisoquinolin-7-yl)methyl]-1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-phenylpyrrolidine-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1,3-dimethylindazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;4-[(2-chlorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 167641970) has the molecular formula C147H176Cl2F3N31O14 and a molecular weight of 2729.13 g/mol. Its IUPAC name is N-[(1-aminoisoquinolin-6-yl)methyl]-1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(3-chlorophenyl)methyl]pyrrolidine-2-carboxamide;N-[(1-aminoisoquinolin-7-yl)methyl]-1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-phenylpyrrolidine-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1,3-dimethylindazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;4-[(2-chlorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(1-aminoisoquinolin-6-yl)methyl]-1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(3-chlorophenyl)methyl]pyrrolidine-2-carboxamide;N-[(1-aminoisoquinolin-7-yl)methyl]-1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-phenylpyrrolidine-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1,3-dimethylindazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;4-[(2-chlorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID167641970
Molecular FormulaC147H176Cl2F3N31O14
Molecular Weight2729.13 g/mol
Exact Mass2726.33
IUPAC NameN-[(1-aminoisoquinolin-6-yl)methyl]-1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(3-chlorophenyl)methyl]pyrrolidine-2-carboxamide;N-[(1-aminoisoquinolin-7-yl)methyl]-1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-phenylpyrrolidine-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1,3-dimethylindazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;4-[(2-chlorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCc1nn(C)c2ccc(CNC(=O)C3CC(Cc4ccncc4)CN3C(=O)C(N)CCC(=O)N3CCCC3)cc12.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccccc4Cl)CN3C(=O)C3CC(c4ccccc4)CN3)ccc21.Nc1nccc2cc(CNC(=O)C3CC(C(F)(F)F)CN3C(=O)C(N)CCC(=O)N3CCCC3)ccc12.Nc1nccc2cc(CNC(=O)C3CC(Cc4cccc(Cl)c4)CN3C(=O)C(N)CCC(=O)N3CCCC3)ccc12.Nc1nccc2ccc(CNC(=O)C3CC(c4ccccc4)CN3C(=O)C(N)CCC(=O)N3CCCC3)cc12
InChIInChI=1S/C31H37ClN6O3.C31H33ClN6O2.C30H39N7O3.C30H36N6O3.C25H31F3N6O3/c32-24-5-3-4-20(16-24)14-22-17-27(30(40)36-18-21-6-7-25-23(15-21)10-11-35-29(25)34)38(19-22)31(41)26(33)8-9-28(39)37-12-1-2-13-37;1-37-28-12-11-20(14-26(28)35-36-37)17-34-30(39)29-15-21(13-23-9-5-6-10-25(23)32)19-38(29)31(40)27-16-24(18-33-27)22-7-3-2-4-8-22;1-20-24-16-22(5-7-26(24)35(2)34-20)18-33-29(39)27-17-23(15-21-9-11-32-12-10-21)19-37(27)30(40)25(31)6-8-28(38)36-13-3-4-14-36;31-25(10-11-27(37)35-14-4-5-15-35)30(39)36-19-23(21-6-2-1-3-7-21)17-26(36)29(38)34-18-20-8-9-22-12-13-33-28(32)24(22)16-20;26-25(27,28)17-12-20(23(36)32-13-15-3-4-18-16(11-15)7-8-31-22(18)30)34(14-17)24(37)19(29)5-6-21(35)33-9-1-2-10-33/h3-7,10-11,15-16,22,26-27H,1-2,8-9,12-14,17-19,33H2,(H2,34,35)(H,36,40);2-12,14,21,24,27,29,33H,13,15-19H2,1H3,(H,34,39);5,7,9-12,16,23,25,27H,3-4,6,8,13-15,17-19,31H2,1-2H3,(H,33,39);1-3,6-9,12-13,16,23,25-26H,4-5,10-11,14-15,17-19,31H2,(H2,32,33)(H,34,38);3-4,7-8,11,17,19-20H,1-2,5-6,9-10,12-14,29H2,(H2,30,31)(H,32,36)
InChIKeyPHENZCUNWVWMRF-UHFFFAOYSA-N
XLogP13.69
TPSA622.55 Ų
H-Bond Donors13
H-Bond Acceptors31
Rotatable Bonds40
Heavy Atoms197
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002729.13
LogP ≤ 513.69
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1031

Analyze N-[(1-aminoisoquinolin-6-yl)methyl]-1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(3-chlorophenyl)methyl]pyrrolidine-2-carboxamide;N-[(1-aminoisoquinolin-7-yl)methyl]-1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-phenylpyrrolidine-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1,3-dimethylindazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;4-[(2-chlorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide with MolForge

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Related Compounds

(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5,6-dimethylisoindol-2-yl)pentan-2-one;3-[2-[(2R)-5-[6-(aminomethyl)-1H-indol-3-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-1-[[2-(5-chloroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-(5,6-dimethylbenzimidazol-1-yl)butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-7-methyl-4-oxo-5-[3-(trifluoromethyl)pyrazol-1-yl]octan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157158955
2-[3-acetyl-5-(pyrimidin-5-ylamino)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyrimidin-5-ylamino)indazol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2S)-pentan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(4,4-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(piperidine-1-carbonylamino)indazole-3-carboxamide
CID 157952827
(2S)-2-(3-chlorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(3-chlorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2S)-N-[5-(3,3-difluoropyrrolidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(3,3-difluoropyrrolidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methyltriazol-1-yl)-2-pyridinyl]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methyltriazol-1-yl)-2-pyridinyl]-2-phenylacetamide
CID 158377412
(1-aminocyclohexyl)-[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[(2R)-4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzotriazol-5-yl]-2-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[4-[1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-piperidin-2-yl]methanone;[(3S)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzotriazol-5-yl]-3-methylpiperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone;[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 158492256
5-[2-[(1S)-1-[[2-(6-chloro-5-fluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylbenzimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-pyridin-2-ylacetyl)amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[4-(trifluoromethyl)pyrazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 158597748
N-[[4-[3-(3-chloro-4-isocyanophenyl)pyrazol-1-yl]-2-fluorophenyl]methyl]-1H-indole-5-carboxamide;N-[[4-[4-(3-chloro-4-isocyanophenyl)pyrazol-1-yl]-2-fluorophenyl]methyl]-1H-indole-5-carboxamide;N-[[4-[1-(5-chloro-6-isocyano-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]-2-fluorophenyl]methyl]-1H-indole-5-carboxamide;N-[[4-[1-(5-chloro-6-isocyano-3-pyridinyl)pyrazol-4-yl]-2-fluorophenyl]methyl]-1H-indole-5-carboxamide;N-[[4-[3-(5-chloro-6-isocyano-3-pyridinyl)pyrazol-1-yl]-2-fluorophenyl]methyl]-1H-indole-5-carboxamide;N-[[2-fluoro-4-[3-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-1-yl]phenyl]methyl]-1H-indole-5-carboxamide;N-[[2-fluoro-4-[4-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-1-yl]phenyl]methyl]-1H-indole-5-carboxamide;N-[[2-fluoro-4-[3-[6-isocyano-5-(trifluoromethyl)-3-pyridinyl]pyrazol-1-yl]phenyl]methyl]-1H-indole-5-carboxamide
CID 161869160
2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-N-(cyclopropylmethyl)indazole-3,5-dicarboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(4,4-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-N-(pyridin-2-ylmethyl)indazole-3,5-dicarboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-N-pyrimidin-5-ylindazole-3,5-dicarboxamide
CID 161948711
4-acetamido-1-(2-amino-4-phenylbutanoyl)-N-[(2-amino-4-pyridinyl)methyl]pyrrolidine-2-carboxamide;4-acetamido-1-(2-amino-4-phenylbutanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-amino-1-(2-amino-4-phenylbutanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-[(3-chlorophenyl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide
CID 167592854
N-[(1-aminoisoquinolin-6-yl)methyl]-1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(3-chlorophenyl)methyl]pyrrolidine-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-1-(2-amino-4-phenylbutanoyl)pyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-pyridin-4-ylpyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(4-phenylbutanoylamino)pyrrolidine-2-carboxamide
CID 167671822
1-[2-amino-5-(3-fluoropyrrolidin-1-yl)-5-oxopentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[cyclohexyl(methyl)amino]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylindazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;1-[2-(benzylamino)-5-oxo-5-pyrrolidin-1-ylpentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 167709853
3-[7-[[2-[4-[5-acetyl-3-[7-(difluoromethyl)-6-(1-methylpyrrolo[3,2-c]pyridin-3-yl)-3,4-dihydro-2H-quinolin-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]-2-oxoethyl]amino]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 177974156
6-[[2-chloro-4-[6-(dimethylamino)-3-pyridinyl]phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[[2-fluoro-4-(2-methylindazol-6-yl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(5-methyl-3-pyridinyl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one
CID 157179204

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminoisoquinolin-6-yl)methyl]-1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(3-chlorophenyl)methyl]pyrrolidine-2-carboxamide;N-[(1-aminoisoquinolin-7-yl)methyl]-1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-phenylpyrrolidine-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1,3-dimethylindazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;4-[(2-chlorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-[(1-aminoisoquinolin-6-yl)methyl]-1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(3-chlorophenyl)methyl]pyrrolidine-2-carboxamide;N-[(1-aminoisoquinolin-7-yl)methyl]-1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-phenylpyrrolidine-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1,3-dimethylindazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;4-[(2-chlorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide (CID 167641970) is N-[(1-aminoisoquinolin-6-yl)methyl]-1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(3-chlorophenyl)methyl]pyrrolidine-2-carboxamide;N-[(1-aminoisoquinolin-7-yl)methyl]-1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-phenylpyrrolidine-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1,3-dimethylindazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;4-[(2-chlorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(1-aminoisoquinolin-6-yl)methyl]-1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(3-chlorophenyl)methyl]pyrrolidine-2-carboxamide;N-[(1-aminoisoquinolin-7-yl)methyl]-1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-phenylpyrrolidine-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1,3-dimethylindazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;4-[(2-chlorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-[(1-aminoisoquinolin-6-yl)methyl]-1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(3-chlorophenyl)methyl]pyrrolidine-2-carboxamide;N-[(1-aminoisoquinolin-7-yl)methyl]-1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-phenylpyrrolidine-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1,3-dimethylindazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;4-[(2-chlorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide is Cc1nn(C)c2ccc(CNC(=O)C3CC(Cc4ccncc4)CN3C(=O)C(N)CCC(=O)N3CCCC3)cc12.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccccc4Cl)CN3C(=O)C3CC(c4ccccc4)CN3)ccc21.Nc1nccc2cc(CNC(=O)C3CC(C(F)(F)F)CN3C(=O)C(N)CCC(=O)N3CCCC3)ccc12.Nc1nccc2cc(CNC(=O)C3CC(Cc4cccc(Cl)c4)CN3C(=O)C(N)CCC(=O)N3CCCC3)ccc12.Nc1nccc2ccc(CNC(=O)C3CC(c4ccccc4)CN3C(=O)C(N)CCC(=O)N3CCCC3)cc12.
What is the InChIKey of N-[(1-aminoisoquinolin-6-yl)methyl]-1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(3-chlorophenyl)methyl]pyrrolidine-2-carboxamide;N-[(1-aminoisoquinolin-7-yl)methyl]-1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-phenylpyrrolidine-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1,3-dimethylindazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;4-[(2-chlorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is PHENZCUNWVWMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37ClN6O3.C31H33ClN6O2.C30H39N7O3.C30H36N6O3.C25H31F3N6O3/c32-24-5-3-4-20(16-24)14-22-17-27(30(40)36-18-21-6-7-25-23(15-21)10-11-35-29(25)34)38(19-22)31(41)26(33)8-9-28(39)37-12-1-2-13-37;1-37-28-12-11-20(14-26(28)35-36-37)17-34-30(39)29-15-21(13-23-9-5-6-10-25(23)32)19-38(29)31(40)27-16-24(18-33-27)22-7-3-2-4-8-22;1-20-24-16-22(5-7-26(24)35(2)34-20)18-33-29(39)27-17-23(15-21-9-11-32-12-10-21)19-37(27)30(40)25(31)6-8-28(38)36-13-3-4-14-36;31-25(10-11-27(37)35-14-4-5-15-35)30(39)36-19-23(21-6-2-1-3-7-21)17-26(36)29(38)34-18-20-8-9-22-12-13-33-28(32)24(22)16-20;26-25(27,28)17-12-20(23(36)32-13-15-3-4-18-16(11-15)7-8-31-22(18)30)34(14-17)24(37)19(29)5-6-21(35)33-9-1-2-10-33/h3-7,10-11,15-16,22,26-27H,1-2,8-9,12-14,17-19,33H2,(H2,34,35)(H,36,40);2-12,14,21,24,27,29,33H,13,15-19H2,1H3,(H,34,39);5,7,9-12,16,23,25,27H,3-4,6,8,13-15,17-19,31H2,1-2H3,(H,33,39);1-3,6-9,12-13,16,23,25-26H,4-5,10-11,14-15,17-19,31H2,(H2,32,33)(H,34,38);3-4,7-8,11,17,19-20H,1-2,5-6,9-10,12-14,29H2,(H2,30,31)(H,32,36).
What are the key properties of N-[(1-aminoisoquinolin-6-yl)methyl]-1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(3-chlorophenyl)methyl]pyrrolidine-2-carboxamide;N-[(1-aminoisoquinolin-7-yl)methyl]-1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-phenylpyrrolidine-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1,3-dimethylindazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;4-[(2-chlorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide?
N-[(1-aminoisoquinolin-6-yl)methyl]-1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(3-chlorophenyl)methyl]pyrrolidine-2-carboxamide;N-[(1-aminoisoquinolin-7-yl)methyl]-1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-phenylpyrrolidine-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1,3-dimethylindazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;4-[(2-chlorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 2729.13 g/mol, XLogP of 13.69, 40 rotatable bonds, 13 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminoisoquinolin-6-yl)methyl]-1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(3-chlorophenyl)methyl]pyrrolidine-2-carboxamide;N-[(1-aminoisoquinolin-7-yl)methyl]-1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-phenylpyrrolidine-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1,3-dimethylindazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;4-[(2-chlorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 167641970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).