(2S)-N-[(4-amino-1H-imidazo[4,5-c]pyridin-2-yl)methyl]-1-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxamide;(2S)-N-(1H-benzimidazol-2-ylmethyl)-1-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxamide;(2S)-1-[(2,4-dichlorophenyl)methyl]-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;(2S)-1-[(2,4-dichlorophenyl)methyl]-N-(7H-purin-8-ylmethyl)pyrrolidine-2-carboxamide

C76H77Cl8N21O4 — CID 90901549

About (2S)-N-[(4-amino-1H-imidazo[4,5-c]pyridin-2-yl)methyl]-1-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxamide;(2S)-N-(1H-benzimidazol-2-ylmethyl)-1-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxamide;(2S)-1-[(2,4-dichlorophenyl)methyl]-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;(2S)-1-[(2,4-dichlorophenyl)methyl]-N-(7H-purin-8-ylmethyl)pyrrolidine-2-carboxamide

(2S)-N-[(4-amino-1H-imidazo[4,5-c]pyridin-2-yl)methyl]-1-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxamide;(2S)-N-(1H-benzimidazol-2-ylmethyl)-1-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxamide;(2S)-1-[(2,4-dichlorophenyl)methyl]-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;(2S)-1-[(2,4-dichlorophenyl)methyl]-N-(7H-purin-8-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 90901549) has the molecular formula C76H77Cl8N21O4 and a molecular weight of 1632.22 g/mol. Its IUPAC name is (2S)-N-[(4-amino-1H-imidazo[4,5-c]pyridin-2-yl)methyl]-1-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxamide;(2S)-N-(1H-benzimidazol-2-ylmethyl)-1-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxamide;(2S)-1-[(2,4-dichlorophenyl)methyl]-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;(2S)-1-[(2,4-dichlorophenyl)methyl]-N-(7H-purin-8-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2S)-N-[(4-amino-1H-imidazo[4,5-c]pyridin-2-yl)methyl]-1-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxamide;(2S)-N-(1H-benzimidazol-2-ylmethyl)-1-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxamide;(2S)-1-[(2,4-dichlorophenyl)methyl]-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;(2S)-1-[(2,4-dichlorophenyl)methyl]-N-(7H-purin-8-ylmethyl)pyrrolidine-2-carboxamide
• PubChem CID: 90901549
• Molecular Formula: C76H77Cl8N21O4
• Molecular Weight: 1632.22 g/mol
• Exact Mass: 1627.40
• IUPAC Name: (2S)-N-[(4-amino-1H-imidazo[4,5-c]pyridin-2-yl)methyl]-1-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxamide;(2S)-N-(1H-benzimidazol-2-ylmethyl)-1-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxamide;(2S)-1-[(2,4-dichlorophenyl)methyl]-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;(2S)-1-[(2,4-dichlorophenyl)methyl]-N-(7H-purin-8-ylmethyl)pyrrolidine-2-carboxamide
• SMILES: Nc1nccc2[nH]c(CNC(=O)[C@@H]3CCCN3Cc3ccc(Cl)cc3Cl)nc12.O=C(NCc1nc2ccccc2[nH]1)[C@@H]1CCCN1Cc1ccc(Cl)cc1Cl.O=C(NCc1nc2ccncc2[nH]1)[C@@H]1CCCN1Cc1ccc(Cl)cc1Cl.O=C(NCc1nc2ncncc2[nH]1)[C@@H]1CCCN1Cc1ccc(Cl)cc1Cl
• InChI: InChI=1S/C20H20Cl2N4O.C19H20Cl2N6O.C19H19Cl2N5O.C18H18Cl2N6O/c21-14-8-7-13(15(22)10-14)12-26-9-3-6-18(26)20(27)23-11-19-24-16-4-1-2-5-17(16)25-19;20-12-4-3-11(13(21)8-12)10-27-7-1-2-15(27)19(28)24-9-16-25-14-5-6-23-18(22)17(14)26-16;20-13-4-3-12(14(21)8-13)11-26-7-1-2-17(26)19(27)23-10-18-24-15-5-6-22-9-16(15)25-18;19-12-4-3-11(13(20)6-12)9-26-5-1-2-15(26)18(27)22-8-16-24-14-7-21-10-23-17(14)25-16/h1-2,4-5,7-8,10,18H,3,6,9,11-12H2,(H,23,27)(H,24,25);3-6,8,15H,1-2,7,9-10H2,(H2,22,23)(H,24,28)(H,25,26);3-6,8-9,17H,1-2,7,10-11H2,(H,23,27)(H,24,25);3-4,6-7,10,15H,1-2,5,8-9H2,(H,22,27)(H,21,23,24,25)/t18-;15-;17-;15-/m0000/s1
• InChIKey: PTZARAAUHWUOHM-BTRKQTKUSA-N
• XLogP: 13.76
• TPSA: 321.66 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 17
• Rotatable Bonds: 20
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1632.22
LogP ≤ 5	13.76
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-amino-1H-imidazo[4,5-c]pyridin-2-yl)methyl]-1-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxamide;(2S)-N-(1H-benzimidazol-2-ylmethyl)-1-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxamide;(2S)-1-[(2,4-dichlorophenyl)methyl]-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;(2S)-1-[(2,4-dichlorophenyl)methyl]-N-(7H-purin-8-ylmethyl)pyrrolidine-2-carboxamide?

The IUPAC name of (2S)-N-[(4-amino-1H-imidazo[4,5-c]pyridin-2-yl)methyl]-1-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxamide;(2S)-N-(1H-benzimidazol-2-ylmethyl)-1-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxamide;(2S)-1-[(2,4-dichlorophenyl)methyl]-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;(2S)-1-[(2,4-dichlorophenyl)methyl]-N-(7H-purin-8-ylmethyl)pyrrolidine-2-carboxamide (CID 90901549) is (2S)-N-[(4-amino-1H-imidazo[4,5-c]pyridin-2-yl)methyl]-1-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxamide;(2S)-N-(1H-benzimidazol-2-ylmethyl)-1-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxamide;(2S)-1-[(2,4-dichlorophenyl)methyl]-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;(2S)-1-[(2,4-dichlorophenyl)methyl]-N-(7H-purin-8-ylmethyl)pyrrolidine-2-carboxamide.

What is the SMILES notation for (2S)-N-[(4-amino-1H-imidazo[4,5-c]pyridin-2-yl)methyl]-1-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxamide;(2S)-N-(1H-benzimidazol-2-ylmethyl)-1-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxamide;(2S)-1-[(2,4-dichlorophenyl)methyl]-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;(2S)-1-[(2,4-dichlorophenyl)methyl]-N-(7H-purin-8-ylmethyl)pyrrolidine-2-carboxamide?

The canonical SMILES for (2S)-N-[(4-amino-1H-imidazo[4,5-c]pyridin-2-yl)methyl]-1-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxamide;(2S)-N-(1H-benzimidazol-2-ylmethyl)-1-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxamide;(2S)-1-[(2,4-dichlorophenyl)methyl]-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;(2S)-1-[(2,4-dichlorophenyl)methyl]-N-(7H-purin-8-ylmethyl)pyrrolidine-2-carboxamide is Nc1nccc2[nH]c(CNC(=O)[C@@H]3CCCN3Cc3ccc(Cl)cc3Cl)nc12.O=C(NCc1nc2ccccc2[nH]1)[C@@H]1CCCN1Cc1ccc(Cl)cc1Cl.O=C(NCc1nc2ccncc2[nH]1)[C@@H]1CCCN1Cc1ccc(Cl)cc1Cl.O=C(NCc1nc2ncncc2[nH]1)[C@@H]1CCCN1Cc1ccc(Cl)cc1Cl.

What is the InChIKey of (2S)-N-[(4-amino-1H-imidazo[4,5-c]pyridin-2-yl)methyl]-1-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxamide;(2S)-N-(1H-benzimidazol-2-ylmethyl)-1-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxamide;(2S)-1-[(2,4-dichlorophenyl)methyl]-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;(2S)-1-[(2,4-dichlorophenyl)methyl]-N-(7H-purin-8-ylmethyl)pyrrolidine-2-carboxamide?

The InChIKey is PTZARAAUHWUOHM-BTRKQTKUSA-N. The full InChI is InChI=1S/C20H20Cl2N4O.C19H20Cl2N6O.C19H19Cl2N5O.C18H18Cl2N6O/c21-14-8-7-13(15(22)10-14)12-26-9-3-6-18(26)20(27)23-11-19-24-16-4-1-2-5-17(16)25-19;20-12-4-3-11(13(21)8-12)10-27-7-1-2-15(27)19(28)24-9-16-25-14-5-6-23-18(22)17(14)26-16;20-13-4-3-12(14(21)8-13)11-26-7-1-2-17(26)19(27)23-10-18-24-15-5-6-22-9-16(15)25-18;19-12-4-3-11(13(20)6-12)9-26-5-1-2-15(26)18(27)22-8-16-24-14-7-21-10-23-17(14)25-16/h1-2,4-5,7-8,10,18H,3,6,9,11-12H2,(H,23,27)(H,24,25);3-6,8,15H,1-2,7,9-10H2,(H2,22,23)(H,24,28)(H,25,26);3-6,8-9,17H,1-2,7,10-11H2,(H,23,27)(H,24,25);3-4,6-7,10,15H,1-2,5,8-9H2,(H,22,27)(H,21,23,24,25)/t18-;15-;17-;15-/m0000/s1.

What are the key properties of (2S)-N-[(4-amino-1H-imidazo[4,5-c]pyridin-2-yl)methyl]-1-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxamide;(2S)-N-(1H-benzimidazol-2-ylmethyl)-1-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxamide;(2S)-1-[(2,4-dichlorophenyl)methyl]-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;(2S)-1-[(2,4-dichlorophenyl)methyl]-N-(7H-purin-8-ylmethyl)pyrrolidine-2-carboxamide?

(2S)-N-[(4-amino-1H-imidazo[4,5-c]pyridin-2-yl)methyl]-1-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxamide;(2S)-N-(1H-benzimidazol-2-ylmethyl)-1-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxamide;(2S)-1-[(2,4-dichlorophenyl)methyl]-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;(2S)-1-[(2,4-dichlorophenyl)methyl]-N-(7H-purin-8-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 1632.22 g/mol, XLogP of 13.76, 20 rotatable bonds, 9 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[(4-amino-1H-imidazo[4,5-c]pyridin-2-yl)methyl]-1-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxamide;(2S)-N-(1H-benzimidazol-2-ylmethyl)-1-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxamide;(2S)-1-[(2,4-dichlorophenyl)methyl]-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;(2S)-1-[(2,4-dichlorophenyl)methyl]-N-(7H-purin-8-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 90901549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).