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

C119H139ClF6N20O13S — CID 167669112

About 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

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 (PubChem CID 167669112) has the molecular formula C119H139ClF6N20O13S and a molecular weight of 2239.06 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 167669112
• Molecular Formula: C119H139ClF6N20O13S
• Molecular Weight: 2239.06 g/mol
• Exact Mass: 2237.01
• IUPAC Name: 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
• SMILES: COc1ccc(CC2CC(C(=O)NCc3cccs3)N(C(=O)C(N)CCC(=O)N3CCCC3)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3nc4ccncc4[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)CCc1cc2cnccc2[nH]1.O=C(CCc1cc2cnccc2[nH]1)C1CC(Cc2ccc(C(F)(F)F)cc2)CN1C(=O)C1NCCc2cc(Cl)ccc21
• InChI: InChI=1S/C32H30ClF3N4O2.C31H36F3N5O3.C29H37N7O4.C27H36N4O4S/c33-24-5-7-26-21(15-24)9-12-38-30(26)31(42)40-18-20(13-19-1-3-23(4-2-19)32(34,35)36)14-28(40)29(41)8-6-25-16-22-17-37-11-10-27(22)39-25;32-31(33,34)23-5-3-20(4-6-23)15-21-16-27(28(40)9-7-24-17-22-18-36-12-11-26(22)37-24)39(19-21)30(42)25(35)8-10-29(41)38-13-1-2-14-38;1-40-21-6-4-19(5-7-21)14-20-15-25(28(38)32-17-26-33-23-10-11-31-16-24(23)34-26)36(18-20)29(39)22(30)8-9-27(37)35-12-2-3-13-35;1-35-21-8-6-19(7-9-21)15-20-16-24(26(33)29-17-22-5-4-14-36-22)31(18-20)27(34)23(28)10-11-25(32)30-12-2-3-13-30/h1-5,7,10-11,15-17,20,28,30,38-39H,6,8-9,12-14,18H2;3-6,11-12,17-18,21,25,27,37H,1-2,7-10,13-16,19,35H2;4-7,10-11,16,20,22,25H,2-3,8-9,12-15,17-18,30H2,1H3,(H,32,38)(H,33,34);4-9,14,20,23-24H,2-3,10-13,15-18,28H2,1H3,(H,29,33)
• InChIKey: TVMZLRQTXBJUAG-UHFFFAOYSA-N
• XLogP: 14.69
• TPSA: 441.99 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 22
• Rotatable Bonds: 37
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2239.06
LogP ≤ 5	14.69
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is COc1ccc(CC2CC(C(=O)NCc3cccs3)N(C(=O)C(N)CCC(=O)N3CCCC3)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3nc4ccncc4[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)CCc1cc2cnccc2[nH]1.O=C(CCc1cc2cnccc2[nH]1)C1CC(Cc2ccc(C(F)(F)F)cc2)CN1C(=O)C1NCCc2cc(Cl)ccc21.

What is the InChIKey of 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?

The InChIKey is TVMZLRQTXBJUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30ClF3N4O2.C31H36F3N5O3.C29H37N7O4.C27H36N4O4S/c33-24-5-7-26-21(15-24)9-12-38-30(26)31(42)40-18-20(13-19-1-3-23(4-2-19)32(34,35)36)14-28(40)29(41)8-6-25-16-22-17-37-11-10-27(22)39-25;32-31(33,34)23-5-3-20(4-6-23)15-21-16-27(28(40)9-7-24-17-22-18-36-12-11-26(22)37-24)39(19-21)30(42)25(35)8-10-29(41)38-13-1-2-14-38;1-40-21-6-4-19(5-7-21)14-20-15-25(28(38)32-17-26-33-23-10-11-31-16-24(23)34-26)36(18-20)29(39)22(30)8-9-27(37)35-12-2-3-13-35;1-35-21-8-6-19(7-9-21)15-20-16-24(26(33)29-17-22-5-4-14-36-22)31(18-20)27(34)23(28)10-11-25(32)30-12-2-3-13-30/h1-5,7,10-11,15-17,20,28,30,38-39H,6,8-9,12-14,18H2;3-6,11-12,17-18,21,25,27,37H,1-2,7-10,13-16,19,35H2;4-7,10-11,16,20,22,25H,2-3,8-9,12-15,17-18,30H2,1H3,(H,32,38)(H,33,34);4-9,14,20,23-24H,2-3,10-13,15-18,28H2,1H3,(H,29,33).

What are the key properties of 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?

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 has a molecular weight of 2239.06 g/mol, XLogP of 14.69, 37 rotatable bonds, 9 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 167669112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).