1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1,3-dimethylindazol-5-yl)methyl]-4-[[4-(2-methylpyrazol-3-yl)phenyl]methyl]pyrrolidine-2-carboxamide;4-[(4-bromophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(3,4-dimethoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(4-methylphenyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[(4-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxamide

C166H193BrN32O15 — CID 167671263

IUPAC1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1,3-dimethylindazol-5-yl)methyl]-4-[[4-(2-methylpyrazol-3-yl)phenyl]methyl]pyrrolidine-2-carboxamide;4-[(4-bromophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(3,4-dimethoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(4-methylphenyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[(4-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCC(C)Oc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3CC(c4ccccc4)CN3)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3CC(c4ccc(C)cc4)CN3)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3CC(c4ccccc4)CN3)C2)cc1OC.Cc1nn(C)c2ccc(CNC(=O)C3CC(Cc4ccc(-c5ccnn5C)cc4)CN3C(=O)C(N)CCC(=O)N3CCCC3)cc12.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccc(Br)cc4)CN3C(=O)C3CC(c4ccccc4)CN3)ccc21
InChIInChI=1S/C35H44N8O3.C34H40N6O3.C33H38N6O4.C33H38N6O3.C31H33BrN6O2/c1-23-28-19-25(8-12-31(28)41(3)39-23)21-37-34(45)32-20-26(18-24-6-9-27(10-7-24)30-14-15-38-40(30)2)22-43(32)35(46)29(36)11-13-33(44)42-16-4-5-17-42;1-22(2)43-28-12-9-23(10-13-28)15-25-17-32(33(41)36-19-24-11-14-31-29(16-24)37-38-39(31)3)40(21-25)34(42)30-18-27(20-35-30)26-7-5-4-6-8-26;1-38-28-11-9-22(14-26(28)36-37-38)18-35-32(40)29-15-23(13-21-10-12-30(42-2)31(16-21)43-3)20-39(29)33(41)27-17-25(19-34-27)24-7-5-4-6-8-24;1-21-4-9-25(10-5-21)26-17-29(34-19-26)33(41)39-20-24(14-22-6-11-27(42-3)12-7-22)16-31(39)32(40)35-18-23-8-13-30-28(15-23)36-37-38(30)2;1-37-28-12-9-21(14-26(28)35-36-37)17-34-30(39)29-15-22(13-20-7-10-25(32)11-8-20)19-38(29)31(40)27-16-24(18-33-27)23-5-3-2-4-6-23/h6-10,12,14-15,19,26,29,32H,4-5,11,13,16-18,20-22,36H2,1-3H3,(H,37,45);4-14,16,22,25,27,30,32,35H,15,17-21H2,1-3H3,(H,36,41);4-12,14,16,23,25,27,29,34H,13,15,17-20H2,1-3H3,(H,35,40);4-13,15,24,26,29,31,34H,14,16-20H2,1-3H3,(H,35,40);2-12,14,22,24,27,29,33H,13,15-19H2,1H3,(H,34,39)
InChIKeyUDKOUUXWOAPNAL-UHFFFAOYSA-N
MW2956.48 g/mol
LogP17.73
Rot. Bonds43

About 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1,3-dimethylindazol-5-yl)methyl]-4-[[4-(2-methylpyrazol-3-yl)phenyl]methyl]pyrrolidine-2-carboxamide;4-[(4-bromophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(3,4-dimethoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(4-methylphenyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[(4-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxamide

1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1,3-dimethylindazol-5-yl)methyl]-4-[[4-(2-methylpyrazol-3-yl)phenyl]methyl]pyrrolidine-2-carboxamide;4-[(4-bromophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(3,4-dimethoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(4-methylphenyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[(4-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 167671263) has the molecular formula C166H193BrN32O15 and a molecular weight of 2956.48 g/mol. Its IUPAC name is 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1,3-dimethylindazol-5-yl)methyl]-4-[[4-(2-methylpyrazol-3-yl)phenyl]methyl]pyrrolidine-2-carboxamide;4-[(4-bromophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(3,4-dimethoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(4-methylphenyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[(4-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1,3-dimethylindazol-5-yl)methyl]-4-[[4-(2-methylpyrazol-3-yl)phenyl]methyl]pyrrolidine-2-carboxamide;4-[(4-bromophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(3,4-dimethoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(4-methylphenyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[(4-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID167671263
Molecular FormulaC166H193BrN32O15
Molecular Weight2956.48 g/mol
Exact Mass2953.45
IUPAC Name1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1,3-dimethylindazol-5-yl)methyl]-4-[[4-(2-methylpyrazol-3-yl)phenyl]methyl]pyrrolidine-2-carboxamide;4-[(4-bromophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(3,4-dimethoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(4-methylphenyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[(4-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCC(C)Oc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3CC(c4ccccc4)CN3)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3CC(c4ccc(C)cc4)CN3)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3CC(c4ccccc4)CN3)C2)cc1OC.Cc1nn(C)c2ccc(CNC(=O)C3CC(Cc4ccc(-c5ccnn5C)cc4)CN3C(=O)C(N)CCC(=O)N3CCCC3)cc12.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccc(Br)cc4)CN3C(=O)C3CC(c4ccccc4)CN3)ccc21
InChIInChI=1S/C35H44N8O3.C34H40N6O3.C33H38N6O4.C33H38N6O3.C31H33BrN6O2/c1-23-28-19-25(8-12-31(28)41(3)39-23)21-37-34(45)32-20-26(18-24-6-9-27(10-7-24)30-14-15-38-40(30)2)22-43(32)35(46)29(36)11-13-33(44)42-16-4-5-17-42;1-22(2)43-28-12-9-23(10-13-28)15-25-17-32(33(41)36-19-24-11-14-31-29(16-24)37-38-39(31)3)40(21-25)34(42)30-18-27(20-35-30)26-7-5-4-6-8-26;1-38-28-11-9-22(14-26(28)36-37-38)18-35-32(40)29-15-23(13-21-10-12-30(42-2)31(16-21)43-3)20-39(29)33(41)27-17-25(19-34-27)24-7-5-4-6-8-24;1-21-4-9-25(10-5-21)26-17-29(34-19-26)33(41)39-20-24(14-22-6-11-27(42-3)12-7-22)16-31(39)32(40)35-18-23-8-13-30-28(15-23)36-37-38(30)2;1-37-28-12-9-21(14-26(28)35-36-37)17-34-30(39)29-15-22(13-20-7-10-25(32)11-8-20)19-38(29)31(40)27-16-24(18-33-27)23-5-3-2-4-6-23/h6-10,12,14-15,19,26,29,32H,4-5,11,13,16-18,20-22,36H2,1-3H3,(H,37,45);4-14,16,22,25,27,30,32,35H,15,17-21H2,1-3H3,(H,36,41);4-12,14,16,23,25,27,29,34H,13,15,17-20H2,1-3H3,(H,35,40);4-13,15,24,26,29,31,34H,14,16-20H2,1-3H3,(H,35,40);2-12,14,22,24,27,29,33H,13,15-19H2,1H3,(H,34,39)
InChIKeyUDKOUUXWOAPNAL-UHFFFAOYSA-N
XLogP17.73
TPSA536.90 Ų
H-Bond Donors10
H-Bond Acceptors36
Rotatable Bonds43
Heavy Atoms214
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002956.48
LogP ≤ 517.73
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1036

Analyze 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1,3-dimethylindazol-5-yl)methyl]-4-[[4-(2-methylpyrazol-3-yl)phenyl]methyl]pyrrolidine-2-carboxamide;4-[(4-bromophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(3,4-dimethoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(4-methylphenyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[(4-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

(2S)-4-[(3,4-dimethoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[(2R,4S)-4-phenylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 165163578
1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;4-[(2-fluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-piperidin-1-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;molecular hydrogen
CID 167661315
4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(2-methylpyrazol-3-yl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 165163436
1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(3-bromophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide
CID 139553286
N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 165163341
1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-phenylpyrrolidine-2-carboxamide
CID 163882391
4-[(3-bromophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-(2,3-dihydro-1-benzofuran-4-ylmethyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(1,2,3,4-tetrahydroisoquinoline-1-carbonyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-4-[[4-(2-methylpyrazol-3-yl)phenyl]methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-4-[(4-methylsulfonylphenyl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide
CID 167557844
1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 139553291
(2S,4R)-1-[(2R)-2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 139554208
1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-2-carbonyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide
CID 165163659
(2S,4R)-1-[(2R)-2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 165163614
1-[2-amino-5-(2-methylpyrrolidin-1-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide
CID 165163646

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1,3-dimethylindazol-5-yl)methyl]-4-[[4-(2-methylpyrazol-3-yl)phenyl]methyl]pyrrolidine-2-carboxamide;4-[(4-bromophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(3,4-dimethoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(4-methylphenyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[(4-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1,3-dimethylindazol-5-yl)methyl]-4-[[4-(2-methylpyrazol-3-yl)phenyl]methyl]pyrrolidine-2-carboxamide;4-[(4-bromophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(3,4-dimethoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(4-methylphenyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[(4-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxamide (CID 167671263) is 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1,3-dimethylindazol-5-yl)methyl]-4-[[4-(2-methylpyrazol-3-yl)phenyl]methyl]pyrrolidine-2-carboxamide;4-[(4-bromophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(3,4-dimethoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(4-methylphenyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[(4-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1,3-dimethylindazol-5-yl)methyl]-4-[[4-(2-methylpyrazol-3-yl)phenyl]methyl]pyrrolidine-2-carboxamide;4-[(4-bromophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(3,4-dimethoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(4-methylphenyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[(4-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1,3-dimethylindazol-5-yl)methyl]-4-[[4-(2-methylpyrazol-3-yl)phenyl]methyl]pyrrolidine-2-carboxamide;4-[(4-bromophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(3,4-dimethoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(4-methylphenyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[(4-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxamide is CC(C)Oc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3CC(c4ccccc4)CN3)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3CC(c4ccc(C)cc4)CN3)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3CC(c4ccccc4)CN3)C2)cc1OC.Cc1nn(C)c2ccc(CNC(=O)C3CC(Cc4ccc(-c5ccnn5C)cc4)CN3C(=O)C(N)CCC(=O)N3CCCC3)cc12.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccc(Br)cc4)CN3C(=O)C3CC(c4ccccc4)CN3)ccc21.
What is the InChIKey of 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1,3-dimethylindazol-5-yl)methyl]-4-[[4-(2-methylpyrazol-3-yl)phenyl]methyl]pyrrolidine-2-carboxamide;4-[(4-bromophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(3,4-dimethoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(4-methylphenyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[(4-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is UDKOUUXWOAPNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H44N8O3.C34H40N6O3.C33H38N6O4.C33H38N6O3.C31H33BrN6O2/c1-23-28-19-25(8-12-31(28)41(3)39-23)21-37-34(45)32-20-26(18-24-6-9-27(10-7-24)30-14-15-38-40(30)2)22-43(32)35(46)29(36)11-13-33(44)42-16-4-5-17-42;1-22(2)43-28-12-9-23(10-13-28)15-25-17-32(33(41)36-19-24-11-14-31-29(16-24)37-38-39(31)3)40(21-25)34(42)30-18-27(20-35-30)26-7-5-4-6-8-26;1-38-28-11-9-22(14-26(28)36-37-38)18-35-32(40)29-15-23(13-21-10-12-30(42-2)31(16-21)43-3)20-39(29)33(41)27-17-25(19-34-27)24-7-5-4-6-8-24;1-21-4-9-25(10-5-21)26-17-29(34-19-26)33(41)39-20-24(14-22-6-11-27(42-3)12-7-22)16-31(39)32(40)35-18-23-8-13-30-28(15-23)36-37-38(30)2;1-37-28-12-9-21(14-26(28)35-36-37)17-34-30(39)29-15-22(13-20-7-10-25(32)11-8-20)19-38(29)31(40)27-16-24(18-33-27)23-5-3-2-4-6-23/h6-10,12,14-15,19,26,29,32H,4-5,11,13,16-18,20-22,36H2,1-3H3,(H,37,45);4-14,16,22,25,27,30,32,35H,15,17-21H2,1-3H3,(H,36,41);4-12,14,16,23,25,27,29,34H,13,15,17-20H2,1-3H3,(H,35,40);4-13,15,24,26,29,31,34H,14,16-20H2,1-3H3,(H,35,40);2-12,14,22,24,27,29,33H,13,15-19H2,1H3,(H,34,39).
What are the key properties of 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1,3-dimethylindazol-5-yl)methyl]-4-[[4-(2-methylpyrazol-3-yl)phenyl]methyl]pyrrolidine-2-carboxamide;4-[(4-bromophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(3,4-dimethoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(4-methylphenyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[(4-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxamide?
1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1,3-dimethylindazol-5-yl)methyl]-4-[[4-(2-methylpyrazol-3-yl)phenyl]methyl]pyrrolidine-2-carboxamide;4-[(4-bromophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(3,4-dimethoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(4-methylphenyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[(4-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 2956.48 g/mol, XLogP of 17.73, 43 rotatable bonds, 10 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1,3-dimethylindazol-5-yl)methyl]-4-[[4-(2-methylpyrazol-3-yl)phenyl]methyl]pyrrolidine-2-carboxamide;4-[(4-bromophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(3,4-dimethoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(4-methylphenyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[(4-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 167671263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).