N-(1,3-benzodioxol-5-ylmethyl)-2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]acetamide;N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]acetamide;N-[(3,4-dimethoxyphenyl)methyl]-2-[(2R)-1-[2-(1,2,4-triazol-1-yl)pyrimidin-4-yl]pyrrolidin-2-yl]acetamide;N-[(3,4-dimethoxyphenyl)methyl]-2-[(2R)-1-[2-(triazol-1-yl)pyrimidin-4-yl]pyrrolidin-2-yl]acetamide;(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)-N-(3H-indol-6-ylmethyl)pyrrolidine-2-carboxamide

C107H121N33O13 — CID 159182594

About N-(1,3-benzodioxol-5-ylmethyl)-2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]acetamide;N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]acetamide;N-[(3,4-dimethoxyphenyl)methyl]-2-[(2R)-1-[2-(1,2,4-triazol-1-yl)pyrimidin-4-yl]pyrrolidin-2-yl]acetamide;N-[(3,4-dimethoxyphenyl)methyl]-2-[(2R)-1-[2-(triazol-1-yl)pyrimidin-4-yl]pyrrolidin-2-yl]acetamide;(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)-N-(3H-indol-6-ylmethyl)pyrrolidine-2-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]acetamide;N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]acetamide;N-[(3,4-dimethoxyphenyl)methyl]-2-[(2R)-1-[2-(1,2,4-triazol-1-yl)pyrimidin-4-yl]pyrrolidin-2-yl]acetamide;N-[(3,4-dimethoxyphenyl)methyl]-2-[(2R)-1-[2-(triazol-1-yl)pyrimidin-4-yl]pyrrolidin-2-yl]acetamide;(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)-N-(3H-indol-6-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 159182594) has the molecular formula C107H121N33O13 and a molecular weight of 2077.36 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]acetamide;N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]acetamide;N-[(3,4-dimethoxyphenyl)methyl]-2-[(2R)-1-[2-(1,2,4-triazol-1-yl)pyrimidin-4-yl]pyrrolidin-2-yl]acetamide;N-[(3,4-dimethoxyphenyl)methyl]-2-[(2R)-1-[2-(triazol-1-yl)pyrimidin-4-yl]pyrrolidin-2-yl]acetamide;(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)-N-(3H-indol-6-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]acetamide;N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]acetamide;N-[(3,4-dimethoxyphenyl)methyl]-2-[(2R)-1-[2-(1,2,4-triazol-1-yl)pyrimidin-4-yl]pyrrolidin-2-yl]acetamide;N-[(3,4-dimethoxyphenyl)methyl]-2-[(2R)-1-[2-(triazol-1-yl)pyrimidin-4-yl]pyrrolidin-2-yl]acetamide;(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)-N-(3H-indol-6-ylmethyl)pyrrolidine-2-carboxamide
• PubChem CID: 159182594
• Molecular Formula: C107H121N33O13
• Molecular Weight: 2077.36 g/mol
• Exact Mass: 2075.98
• IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]acetamide;N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]acetamide;N-[(3,4-dimethoxyphenyl)methyl]-2-[(2R)-1-[2-(1,2,4-triazol-1-yl)pyrimidin-4-yl]pyrrolidin-2-yl]acetamide;N-[(3,4-dimethoxyphenyl)methyl]-2-[(2R)-1-[2-(triazol-1-yl)pyrimidin-4-yl]pyrrolidin-2-yl]acetamide;(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)-N-(3H-indol-6-ylmethyl)pyrrolidine-2-carboxamide
• SMILES: COc1ccc(CCNC(=O)C[C@H]2CCCN2c2ccnc(-n3ccnc3)n2)cc1OC.COc1ccc(CNC(=O)C[C@H]2CCCN2c2ccnc(-n3ccnn3)n2)cc1OC.COc1ccc(CNC(=O)C[C@H]2CCCN2c2ccnc(-n3cncn3)n2)cc1OC.O=C(C[C@H]1CCCN1c1ccnc(-n2ccnc2)n1)NCc1ccc2c(c1)OCO2.O=C(NCc1ccc2c(c1)N=CC2)[C@H]1CCCN1c1ccnc(-n2ccnc2)n1
• InChI: InChI=1S/C23H28N6O3.2C21H25N7O3.C21H21N7O.C21H22N6O3/c1-31-19-6-5-17(14-20(19)32-2)7-9-25-22(30)15-18-4-3-12-29(18)21-8-10-26-23(27-21)28-13-11-24-16-28;1-30-17-6-5-15(12-18(17)31-2)14-23-20(29)13-16-4-3-10-27(16)19-7-8-22-21(25-19)28-11-9-24-26-28;1-30-17-6-5-15(10-18(17)31-2)12-24-20(29)11-16-4-3-9-27(16)19-7-8-23-21(26-19)28-14-22-13-25-28;29-20(25-13-15-3-4-16-5-7-23-17(16)12-15)18-2-1-10-28(18)19-6-8-24-21(26-19)27-11-9-22-14-27;28-20(24-12-15-3-4-17-18(10-15)30-14-29-17)11-16-2-1-8-27(16)19-5-6-23-21(25-19)26-9-7-22-13-26/h5-6,8,10-11,13-14,16,18H,3-4,7,9,12,15H2,1-2H3,(H,25,30);5-9,11-12,16H,3-4,10,13-14H2,1-2H3,(H,23,29);5-8,10,13-14,16H,3-4,9,11-12H2,1-2H3,(H,24,29);3-4,6-9,11-12,14,18H,1-2,5,10,13H2,(H,25,29);3-7,9-10,13,16H,1-2,8,11-12,14H2,(H,24,28)/t18-;2*16-;18-;16-/m11111/s1
• InChIKey: KNBZOTANFSIWJS-RJKMDKMPSA-N
• XLogP: 10.17
• TPSA: 491.68 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 41
• Rotatable Bonds: 36
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2077.36
LogP ≤ 5	10.17
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]acetamide;N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]acetamide;N-[(3,4-dimethoxyphenyl)methyl]-2-[(2R)-1-[2-(1,2,4-triazol-1-yl)pyrimidin-4-yl]pyrrolidin-2-yl]acetamide;N-[(3,4-dimethoxyphenyl)methyl]-2-[(2R)-1-[2-(triazol-1-yl)pyrimidin-4-yl]pyrrolidin-2-yl]acetamide;(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)-N-(3H-indol-6-ylmethyl)pyrrolidine-2-carboxamide?

The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]acetamide;N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]acetamide;N-[(3,4-dimethoxyphenyl)methyl]-2-[(2R)-1-[2-(1,2,4-triazol-1-yl)pyrimidin-4-yl]pyrrolidin-2-yl]acetamide;N-[(3,4-dimethoxyphenyl)methyl]-2-[(2R)-1-[2-(triazol-1-yl)pyrimidin-4-yl]pyrrolidin-2-yl]acetamide;(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)-N-(3H-indol-6-ylmethyl)pyrrolidine-2-carboxamide (CID 159182594) is N-(1,3-benzodioxol-5-ylmethyl)-2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]acetamide;N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]acetamide;N-[(3,4-dimethoxyphenyl)methyl]-2-[(2R)-1-[2-(1,2,4-triazol-1-yl)pyrimidin-4-yl]pyrrolidin-2-yl]acetamide;N-[(3,4-dimethoxyphenyl)methyl]-2-[(2R)-1-[2-(triazol-1-yl)pyrimidin-4-yl]pyrrolidin-2-yl]acetamide;(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)-N-(3H-indol-6-ylmethyl)pyrrolidine-2-carboxamide.

What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]acetamide;N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]acetamide;N-[(3,4-dimethoxyphenyl)methyl]-2-[(2R)-1-[2-(1,2,4-triazol-1-yl)pyrimidin-4-yl]pyrrolidin-2-yl]acetamide;N-[(3,4-dimethoxyphenyl)methyl]-2-[(2R)-1-[2-(triazol-1-yl)pyrimidin-4-yl]pyrrolidin-2-yl]acetamide;(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)-N-(3H-indol-6-ylmethyl)pyrrolidine-2-carboxamide?

The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]acetamide;N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]acetamide;N-[(3,4-dimethoxyphenyl)methyl]-2-[(2R)-1-[2-(1,2,4-triazol-1-yl)pyrimidin-4-yl]pyrrolidin-2-yl]acetamide;N-[(3,4-dimethoxyphenyl)methyl]-2-[(2R)-1-[2-(triazol-1-yl)pyrimidin-4-yl]pyrrolidin-2-yl]acetamide;(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)-N-(3H-indol-6-ylmethyl)pyrrolidine-2-carboxamide is COc1ccc(CCNC(=O)C[C@H]2CCCN2c2ccnc(-n3ccnc3)n2)cc1OC.COc1ccc(CNC(=O)C[C@H]2CCCN2c2ccnc(-n3ccnn3)n2)cc1OC.COc1ccc(CNC(=O)C[C@H]2CCCN2c2ccnc(-n3cncn3)n2)cc1OC.O=C(C[C@H]1CCCN1c1ccnc(-n2ccnc2)n1)NCc1ccc2c(c1)OCO2.O=C(NCc1ccc2c(c1)N=CC2)[C@H]1CCCN1c1ccnc(-n2ccnc2)n1.

What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]acetamide;N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]acetamide;N-[(3,4-dimethoxyphenyl)methyl]-2-[(2R)-1-[2-(1,2,4-triazol-1-yl)pyrimidin-4-yl]pyrrolidin-2-yl]acetamide;N-[(3,4-dimethoxyphenyl)methyl]-2-[(2R)-1-[2-(triazol-1-yl)pyrimidin-4-yl]pyrrolidin-2-yl]acetamide;(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)-N-(3H-indol-6-ylmethyl)pyrrolidine-2-carboxamide?

The InChIKey is KNBZOTANFSIWJS-RJKMDKMPSA-N. The full InChI is InChI=1S/C23H28N6O3.2C21H25N7O3.C21H21N7O.C21H22N6O3/c1-31-19-6-5-17(14-20(19)32-2)7-9-25-22(30)15-18-4-3-12-29(18)21-8-10-26-23(27-21)28-13-11-24-16-28;1-30-17-6-5-15(12-18(17)31-2)14-23-20(29)13-16-4-3-10-27(16)19-7-8-22-21(25-19)28-11-9-24-26-28;1-30-17-6-5-15(10-18(17)31-2)12-24-20(29)11-16-4-3-9-27(16)19-7-8-23-21(26-19)28-14-22-13-25-28;29-20(25-13-15-3-4-16-5-7-23-17(16)12-15)18-2-1-10-28(18)19-6-8-24-21(26-19)27-11-9-22-14-27;28-20(24-12-15-3-4-17-18(10-15)30-14-29-17)11-16-2-1-8-27(16)19-5-6-23-21(25-19)26-9-7-22-13-26/h5-6,8,10-11,13-14,16,18H,3-4,7,9,12,15H2,1-2H3,(H,25,30);5-9,11-12,16H,3-4,10,13-14H2,1-2H3,(H,23,29);5-8,10,13-14,16H,3-4,9,11-12H2,1-2H3,(H,24,29);3-4,6-9,11-12,14,18H,1-2,5,10,13H2,(H,25,29);3-7,9-10,13,16H,1-2,8,11-12,14H2,(H,24,28)/t18-;2*16-;18-;16-/m11111/s1.

What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]acetamide;N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]acetamide;N-[(3,4-dimethoxyphenyl)methyl]-2-[(2R)-1-[2-(1,2,4-triazol-1-yl)pyrimidin-4-yl]pyrrolidin-2-yl]acetamide;N-[(3,4-dimethoxyphenyl)methyl]-2-[(2R)-1-[2-(triazol-1-yl)pyrimidin-4-yl]pyrrolidin-2-yl]acetamide;(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)-N-(3H-indol-6-ylmethyl)pyrrolidine-2-carboxamide?

N-(1,3-benzodioxol-5-ylmethyl)-2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]acetamide;N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]acetamide;N-[(3,4-dimethoxyphenyl)methyl]-2-[(2R)-1-[2-(1,2,4-triazol-1-yl)pyrimidin-4-yl]pyrrolidin-2-yl]acetamide;N-[(3,4-dimethoxyphenyl)methyl]-2-[(2R)-1-[2-(triazol-1-yl)pyrimidin-4-yl]pyrrolidin-2-yl]acetamide;(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)-N-(3H-indol-6-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 2077.36 g/mol, XLogP of 10.17, 36 rotatable bonds, 5 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-benzodioxol-5-ylmethyl)-2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]acetamide;N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]acetamide;N-[(3,4-dimethoxyphenyl)methyl]-2-[(2R)-1-[2-(1,2,4-triazol-1-yl)pyrimidin-4-yl]pyrrolidin-2-yl]acetamide;N-[(3,4-dimethoxyphenyl)methyl]-2-[(2R)-1-[2-(triazol-1-yl)pyrimidin-4-yl]pyrrolidin-2-yl]acetamide;(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)-N-(3H-indol-6-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 159182594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).