1-[2-amino-5-(3,8-diazabicyclo[3.2.1]octan-8-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-(2-methylpiperazin-1-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(6-chloro-1,2,3,4-tetrahydroisoquinoline-8-carbonyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-[2-(trifluoromethyl)-3-pyridinyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;molecular hydrogen

C157H187ClF3N35O18 — CID 167616425

IUPAC1-[2-amino-5-(3,8-diazabicyclo[3.2.1]octan-8-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-(2-methylpiperazin-1-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(6-chloro-1,2,3,4-tetrahydroisoquinoline-8-carbonyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-[2-(trifluoromethyl)-3-pyridinyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;molecular hydrogen
SMILESCOc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C(N)CCC(=O)N3C4CCC3CNC4)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C(N)CCC(=O)N3CCNCC3C)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3CC(c4cccnc4C(F)(F)F)CN3)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3NCCc4cc(O)ccc43)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)c3cc(Cl)cc4c3CNCC4)C2)cc1.[H][H]
InChIInChI=1S/C32H34F3N7O3.C32H42N8O4.C31H33ClN6O3.C31H42N8O4.C31H34N6O4.H2/c1-41-27-10-7-20(13-25(27)39-40-41)16-38-30(43)28-14-21(12-19-5-8-23(45-2)9-6-19)18-42(28)31(44)26-15-22(17-37-26)24-4-3-11-36-29(24)32(33,34)35;1-38-28-11-5-21(14-27(28)36-37-38)16-35-31(42)29-15-22(13-20-3-8-25(44-2)9-4-20)19-39(29)32(43)26(33)10-12-30(41)40-23-6-7-24(40)18-34-17-23;1-37-28-8-5-20(12-27(28)35-36-37)16-34-30(39)29-13-21(11-19-3-6-24(41-2)7-4-19)18-38(29)31(40)25-15-23(32)14-22-9-10-33-17-26(22)25;1-20-17-33-12-13-38(20)29(40)11-9-25(32)31(42)39-19-23(14-21-4-7-24(43-3)8-5-21)16-28(39)30(41)34-18-22-6-10-27-26(15-22)35-36-37(27)2;1-36-27-10-5-20(14-26(27)34-35-36)17-33-30(39)28-15-21(13-19-3-7-24(41-2)8-4-19)18-37(28)31(40)29-25-9-6-23(38)16-22(25)11-12-32-29;/h3-11,13,21-22,26,28,37H,12,14-18H2,1-2H3,(H,38,43);3-5,8-9,11,14,22-24,26,29,34H,6-7,10,12-13,15-19,33H2,1-2H3,(H,35,42);3-8,12,14-15,21,29,33H,9-11,13,16-18H2,1-2H3,(H,34,39);4-8,10,15,20,23,25,28,33H,9,11-14,16-19,32H2,1-3H3,(H,34,41);3-10,14,16,21,28-29,32,38H,11-13,15,17-18H2,1-2H3,(H,33,39);1H
InChIKeyLUROMWNZQDHXNK-UHFFFAOYSA-N
MW2944.90 g/mol
LogP12.27
Rot. Bonds42

About 1-[2-amino-5-(3,8-diazabicyclo[3.2.1]octan-8-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-(2-methylpiperazin-1-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(6-chloro-1,2,3,4-tetrahydroisoquinoline-8-carbonyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-[2-(trifluoromethyl)-3-pyridinyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;molecular hydrogen

1-[2-amino-5-(3,8-diazabicyclo[3.2.1]octan-8-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-(2-methylpiperazin-1-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(6-chloro-1,2,3,4-tetrahydroisoquinoline-8-carbonyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-[2-(trifluoromethyl)-3-pyridinyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;molecular hydrogen (PubChem CID 167616425) has the molecular formula C157H187ClF3N35O18 and a molecular weight of 2944.90 g/mol. Its IUPAC name is 1-[2-amino-5-(3,8-diazabicyclo[3.2.1]octan-8-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-(2-methylpiperazin-1-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(6-chloro-1,2,3,4-tetrahydroisoquinoline-8-carbonyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-[2-(trifluoromethyl)-3-pyridinyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name1-[2-amino-5-(3,8-diazabicyclo[3.2.1]octan-8-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-(2-methylpiperazin-1-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(6-chloro-1,2,3,4-tetrahydroisoquinoline-8-carbonyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-[2-(trifluoromethyl)-3-pyridinyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;molecular hydrogen
PubChem CID167616425
Molecular FormulaC157H187ClF3N35O18
Molecular Weight2944.90 g/mol
Exact Mass2942.44
IUPAC Name1-[2-amino-5-(3,8-diazabicyclo[3.2.1]octan-8-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-(2-methylpiperazin-1-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(6-chloro-1,2,3,4-tetrahydroisoquinoline-8-carbonyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-[2-(trifluoromethyl)-3-pyridinyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;molecular hydrogen
SMILESCOc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C(N)CCC(=O)N3C4CCC3CNC4)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C(N)CCC(=O)N3CCNCC3C)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3CC(c4cccnc4C(F)(F)F)CN3)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3NCCc4cc(O)ccc43)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)c3cc(Cl)cc4c3CNCC4)C2)cc1.[H][H]
InChIInChI=1S/C32H34F3N7O3.C32H42N8O4.C31H33ClN6O3.C31H42N8O4.C31H34N6O4.H2/c1-41-27-10-7-20(13-25(27)39-40-41)16-38-30(43)28-14-21(12-19-5-8-23(45-2)9-6-19)18-42(28)31(44)26-15-22(17-37-26)24-4-3-11-36-29(24)32(33,34)35;1-38-28-11-5-21(14-27(28)36-37-38)16-35-31(42)29-15-22(13-20-3-8-25(44-2)9-4-20)19-39(29)32(43)26(33)10-12-30(41)40-23-6-7-24(40)18-34-17-23;1-37-28-8-5-20(12-27(28)35-36-37)16-34-30(39)29-13-21(11-19-3-6-24(41-2)7-4-19)18-38(29)31(40)25-15-23(32)14-22-9-10-33-17-26(22)25;1-20-17-33-12-13-38(20)29(40)11-9-25(32)31(42)39-19-23(14-21-4-7-24(43-3)8-5-21)16-28(39)30(41)34-18-22-6-10-27-26(15-22)35-36-37(27)2;1-36-27-10-5-20(14-26(27)34-35-36)17-33-30(39)28-15-21(13-19-3-7-24(41-2)8-4-19)18-37(28)31(40)29-25-9-6-23(38)16-22(25)11-12-32-29;/h3-11,13,21-22,26,28,37H,12,14-18H2,1-2H3,(H,38,43);3-5,8-9,11,14,22-24,26,29,34H,6-7,10,12-13,15-19,33H2,1-2H3,(H,35,42);3-8,12,14-15,21,29,33H,9-11,13,16-18H2,1-2H3,(H,34,39);4-8,10,15,20,23,25,28,33H,9,11-14,16-19,32H2,1-3H3,(H,34,41);3-10,14,16,21,28-29,32,38H,11-13,15,17-18H2,1-2H3,(H,33,39);1H
InChIKeyLUROMWNZQDHXNK-UHFFFAOYSA-N
XLogP12.27
TPSA632.68 Ų
H-Bond Donors13
H-Bond Acceptors41
Rotatable Bonds42
Heavy Atoms214
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002944.90
LogP ≤ 512.27
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1041

Analyze 1-[2-amino-5-(3,8-diazabicyclo[3.2.1]octan-8-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-(2-methylpiperazin-1-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(6-chloro-1,2,3,4-tetrahydroisoquinoline-8-carbonyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-[2-(trifluoromethyl)-3-pyridinyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-5-(3,8-diazabicyclo[3.2.1]octan-8-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-(2-methylpiperazin-1-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(6-chloro-1,2,3,4-tetrahydroisoquinoline-8-carbonyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-[2-(trifluoromethyl)-3-pyridinyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;molecular hydrogen?
The IUPAC name of 1-[2-amino-5-(3,8-diazabicyclo[3.2.1]octan-8-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-(2-methylpiperazin-1-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(6-chloro-1,2,3,4-tetrahydroisoquinoline-8-carbonyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-[2-(trifluoromethyl)-3-pyridinyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;molecular hydrogen (CID 167616425) is 1-[2-amino-5-(3,8-diazabicyclo[3.2.1]octan-8-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-(2-methylpiperazin-1-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(6-chloro-1,2,3,4-tetrahydroisoquinoline-8-carbonyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-[2-(trifluoromethyl)-3-pyridinyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;molecular hydrogen.
What is the SMILES notation for 1-[2-amino-5-(3,8-diazabicyclo[3.2.1]octan-8-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-(2-methylpiperazin-1-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(6-chloro-1,2,3,4-tetrahydroisoquinoline-8-carbonyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-[2-(trifluoromethyl)-3-pyridinyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;molecular hydrogen?
The canonical SMILES for 1-[2-amino-5-(3,8-diazabicyclo[3.2.1]octan-8-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-(2-methylpiperazin-1-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(6-chloro-1,2,3,4-tetrahydroisoquinoline-8-carbonyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-[2-(trifluoromethyl)-3-pyridinyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;molecular hydrogen is COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C(N)CCC(=O)N3C4CCC3CNC4)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C(N)CCC(=O)N3CCNCC3C)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3CC(c4cccnc4C(F)(F)F)CN3)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3NCCc4cc(O)ccc43)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)c3cc(Cl)cc4c3CNCC4)C2)cc1.[H][H].
What is the InChIKey of 1-[2-amino-5-(3,8-diazabicyclo[3.2.1]octan-8-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-(2-methylpiperazin-1-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(6-chloro-1,2,3,4-tetrahydroisoquinoline-8-carbonyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-[2-(trifluoromethyl)-3-pyridinyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;molecular hydrogen?
The InChIKey is LUROMWNZQDHXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34F3N7O3.C32H42N8O4.C31H33ClN6O3.C31H42N8O4.C31H34N6O4.H2/c1-41-27-10-7-20(13-25(27)39-40-41)16-38-30(43)28-14-21(12-19-5-8-23(45-2)9-6-19)18-42(28)31(44)26-15-22(17-37-26)24-4-3-11-36-29(24)32(33,34)35;1-38-28-11-5-21(14-27(28)36-37-38)16-35-31(42)29-15-22(13-20-3-8-25(44-2)9-4-20)19-39(29)32(43)26(33)10-12-30(41)40-23-6-7-24(40)18-34-17-23;1-37-28-8-5-20(12-27(28)35-36-37)16-34-30(39)29-13-21(11-19-3-6-24(41-2)7-4-19)18-38(29)31(40)25-15-23(32)14-22-9-10-33-17-26(22)25;1-20-17-33-12-13-38(20)29(40)11-9-25(32)31(42)39-19-23(14-21-4-7-24(43-3)8-5-21)16-28(39)30(41)34-18-22-6-10-27-26(15-22)35-36-37(27)2;1-36-27-10-5-20(14-26(27)34-35-36)17-33-30(39)28-15-21(13-19-3-7-24(41-2)8-4-19)18-37(28)31(40)29-25-9-6-23(38)16-22(25)11-12-32-29;/h3-11,13,21-22,26,28,37H,12,14-18H2,1-2H3,(H,38,43);3-5,8-9,11,14,22-24,26,29,34H,6-7,10,12-13,15-19,33H2,1-2H3,(H,35,42);3-8,12,14-15,21,29,33H,9-11,13,16-18H2,1-2H3,(H,34,39);4-8,10,15,20,23,25,28,33H,9,11-14,16-19,32H2,1-3H3,(H,34,41);3-10,14,16,21,28-29,32,38H,11-13,15,17-18H2,1-2H3,(H,33,39);1H.
What are the key properties of 1-[2-amino-5-(3,8-diazabicyclo[3.2.1]octan-8-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-(2-methylpiperazin-1-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(6-chloro-1,2,3,4-tetrahydroisoquinoline-8-carbonyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-[2-(trifluoromethyl)-3-pyridinyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;molecular hydrogen?
1-[2-amino-5-(3,8-diazabicyclo[3.2.1]octan-8-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-(2-methylpiperazin-1-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(6-chloro-1,2,3,4-tetrahydroisoquinoline-8-carbonyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-[2-(trifluoromethyl)-3-pyridinyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;molecular hydrogen has a molecular weight of 2944.90 g/mol, XLogP of 12.27, 42 rotatable bonds, 13 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-5-(3,8-diazabicyclo[3.2.1]octan-8-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-(2-methylpiperazin-1-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(6-chloro-1,2,3,4-tetrahydroisoquinoline-8-carbonyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-[2-(trifluoromethyl)-3-pyridinyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 167616425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).