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

C162H177BrN32O14S — CID 167557844

IUPAC4-[(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
SMILESCOc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3NCCc4ccccc43)C2)cc1.Cn1nccc1-c1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3CC(c4ccccc4)CN3)C2)cc1.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccc(S(C)(=O)=O)cc4)CN3C(=O)C3CC(c4ccccc4)CN3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(Cc4cccc(Br)c4)CN3C(=O)C3CC(c4ccccc4)CN3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(Cc4cccc5c4CCO5)CN3C(=O)C3CC(c4ccccc4)CN3)ccc21
InChIInChI=1S/C35H38N8O2.C33H36N6O3.C32H36N6O4S.C31H33BrN6O2.C31H34N6O3/c1-41-31(14-15-38-41)27-11-8-23(9-12-27)16-25-18-33(34(44)37-20-24-10-13-32-29(17-24)39-40-42(32)2)43(22-25)35(45)30-19-28(21-36-30)26-6-4-3-5-7-26;1-38-29-11-10-21(15-27(29)36-37-38)18-35-32(40)30-16-22(14-24-8-5-9-31-26(24)12-13-42-31)20-39(30)33(41)28-17-25(19-34-28)23-6-3-2-4-7-23;1-37-29-13-10-22(15-27(29)35-36-37)18-34-31(39)30-16-23(14-21-8-11-26(12-9-21)43(2,41)42)20-38(30)32(40)28-17-25(19-33-28)24-6-4-3-5-7-24;1-37-28-11-10-21(14-26(28)35-36-37)17-34-30(39)29-15-22(12-20-6-5-9-25(32)13-20)19-38(29)31(40)27-16-24(18-33-27)23-7-3-2-4-8-23;1-36-27-12-9-21(16-26(27)34-35-36)18-33-30(38)28-17-22(15-20-7-10-24(40-2)11-8-20)19-37(28)31(39)29-25-6-4-3-5-23(25)13-14-32-29/h3-15,17,25,28,30,33,36H,16,18-22H2,1-2H3,(H,37,44);2-11,15,22,25,28,30,34H,12-14,16-20H2,1H3,(H,35,40);3-13,15,23,25,28,30,33H,14,16-20H2,1-2H3,(H,34,39);2-11,13-14,22,24,27,29,33H,12,15-19H2,1H3,(H,34,39);3-12,16,22,28-29,32H,13-15,17-19H2,1-2H3,(H,33,38)
InChIKeyDGBWZFRHGMZPNM-UHFFFAOYSA-N
MW2908.38 g/mol
LogP16.20
Rot. Bonds37

About 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

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 (PubChem CID 167557844) has the molecular formula C162H177BrN32O14S and a molecular weight of 2908.38 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[(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
PubChem CID167557844
Molecular FormulaC162H177BrN32O14S
Molecular Weight2908.38 g/mol
Exact Mass2905.30
IUPAC Name4-[(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
SMILESCOc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3NCCc4ccccc43)C2)cc1.Cn1nccc1-c1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3CC(c4ccccc4)CN3)C2)cc1.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccc(S(C)(=O)=O)cc4)CN3C(=O)C3CC(c4ccccc4)CN3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(Cc4cccc(Br)c4)CN3C(=O)C3CC(c4ccccc4)CN3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(Cc4cccc5c4CCO5)CN3C(=O)C3CC(c4ccccc4)CN3)ccc21
InChIInChI=1S/C35H38N8O2.C33H36N6O3.C32H36N6O4S.C31H33BrN6O2.C31H34N6O3/c1-41-31(14-15-38-41)27-11-8-23(9-12-27)16-25-18-33(34(44)37-20-24-10-13-32-29(17-24)39-40-42(32)2)43(22-25)35(45)30-19-28(21-36-30)26-6-4-3-5-7-26;1-38-29-11-10-21(15-27(29)36-37-38)18-35-32(40)30-16-22(14-24-8-5-9-31-26(24)12-13-42-31)20-39(30)33(41)28-17-25(19-34-28)23-6-3-2-4-7-23;1-37-29-13-10-22(15-27(29)35-36-37)18-34-31(39)30-16-23(14-21-8-11-26(12-9-21)43(2,41)42)20-38(30)32(40)28-17-25(19-33-28)24-6-4-3-5-7-24;1-37-28-11-10-21(14-26(28)35-36-37)17-34-30(39)29-15-22(12-20-6-5-9-25(32)13-20)19-38(29)31(40)27-16-24(18-33-27)23-7-3-2-4-8-23;1-36-27-12-9-21(16-26(27)34-35-36)18-33-30(38)28-17-22(15-20-7-10-24(40-2)11-8-20)19-37(28)31(39)29-25-6-4-3-5-23(25)13-14-32-29/h3-15,17,25,28,30,33,36H,16,18-22H2,1-2H3,(H,37,44);2-11,15,22,25,28,30,34H,12-14,16-20H2,1H3,(H,35,40);3-13,15,23,25,28,30,33H,14,16-20H2,1-2H3,(H,34,39);2-11,13-14,22,24,27,29,33H,12,15-19H2,1H3,(H,34,39);3-12,16,22,28-29,32H,13-15,17-19H2,1-2H3,(H,33,38)
InChIKeyDGBWZFRHGMZPNM-UHFFFAOYSA-N
XLogP16.20
TPSA531.17 Ų
H-Bond Donors10
H-Bond Acceptors36
Rotatable Bonds37
Heavy Atoms210
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002908.38
LogP ≤ 516.20
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1036

Analyze 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 with MolForge

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Related Compounds

4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(2-methylpyrazol-3-yl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 165163436
(2S)-4-[(3,4-dimethoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[(2R,4S)-4-phenylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 165163578
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-[(1,3-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
(2S,4R)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[(2R)-4-(2-oxo-1H-pyridin-3-yl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 167175979
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)-4-[(2,4-difluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[(2R,4S)-4-phenylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 139553977
(2S,4R)-4-[(2-cyanophenyl)methyl]-1-[(2R,4R)-4-ethylpyrrolidine-2-carbonyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide
CID 139554204
N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-[3-[1-methyl-5-[[[1-(4-phenylpyrrolidine-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carbonyl]amino]methyl]-6,7-dihydrobenzotriazol-4-yl]phenyl]pyrrolidine-2-carbonyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 139554027
(2S,4R)-1-[(2R,4R)-4-ethylpyrrolidine-2-carbonyl]-4-[(2-fluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide
CID 139554196
4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(2-oxo-1-pyridinyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(1-methylpyrazol-4-yl)pyrrolidine-2-carbonyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(2-oxo-1H-pyridin-3-yl)pyrrolidine-2-carbonyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 167640850
1-[(2S,4R)-1-[(2R,4R)-4-benzylpyrrolidine-2-carbonyl]-4-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-3-(1-methylbenzotriazol-5-yl)propan-1-one
CID 167595878

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3NCCc4ccccc43)C2)cc1.Cn1nccc1-c1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3CC(c4ccccc4)CN3)C2)cc1.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccc(S(C)(=O)=O)cc4)CN3C(=O)C3CC(c4ccccc4)CN3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(Cc4cccc(Br)c4)CN3C(=O)C3CC(c4ccccc4)CN3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(Cc4cccc5c4CCO5)CN3C(=O)C3CC(c4ccccc4)CN3)ccc21.
What is the InChIKey of 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?
The InChIKey is DGBWZFRHGMZPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38N8O2.C33H36N6O3.C32H36N6O4S.C31H33BrN6O2.C31H34N6O3/c1-41-31(14-15-38-41)27-11-8-23(9-12-27)16-25-18-33(34(44)37-20-24-10-13-32-29(17-24)39-40-42(32)2)43(22-25)35(45)30-19-28(21-36-30)26-6-4-3-5-7-26;1-38-29-11-10-21(15-27(29)36-37-38)18-35-32(40)30-16-22(14-24-8-5-9-31-26(24)12-13-42-31)20-39(30)33(41)28-17-25(19-34-28)23-6-3-2-4-7-23;1-37-29-13-10-22(15-27(29)35-36-37)18-34-31(39)30-16-23(14-21-8-11-26(12-9-21)43(2,41)42)20-38(30)32(40)28-17-25(19-33-28)24-6-4-3-5-7-24;1-37-28-11-10-21(14-26(28)35-36-37)17-34-30(39)29-15-22(12-20-6-5-9-25(32)13-20)19-38(29)31(40)27-16-24(18-33-27)23-7-3-2-4-8-23;1-36-27-12-9-21(16-26(27)34-35-36)18-33-30(38)28-17-22(15-20-7-10-24(40-2)11-8-20)19-37(28)31(39)29-25-6-4-3-5-23(25)13-14-32-29/h3-15,17,25,28,30,33,36H,16,18-22H2,1-2H3,(H,37,44);2-11,15,22,25,28,30,34H,12-14,16-20H2,1H3,(H,35,40);3-13,15,23,25,28,30,33H,14,16-20H2,1-2H3,(H,34,39);2-11,13-14,22,24,27,29,33H,12,15-19H2,1H3,(H,34,39);3-12,16,22,28-29,32H,13-15,17-19H2,1-2H3,(H,33,38).
What are the key properties of 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?
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 has a molecular weight of 2908.38 g/mol, XLogP of 16.20, 37 rotatable bonds, 10 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167557844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).