1-(4-chlorophenyl)-N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]imidazole-4-carboxamide;N-[(3S)-1-(6-methylimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide;bis(N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide)

C₈₆H₈₅ClN₂₆O₄ — CID 158064710

About 1-(4-chlorophenyl)-N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]imidazole-4-carboxamide;N-[(3S)-1-(6-methylimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide;bis(N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide)

1-(4-chlorophenyl)-N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]imidazole-4-carboxamide;N-[(3S)-1-(6-methylimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide;bis(N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide) (PubChem CID 158064710) has the molecular formula C₈₆H₈₅ClN₂₆O₄ and a molecular weight of 1582.26 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]imidazole-4-carboxamide;N-[(3S)-1-(6-methylimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide;bis(N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide).

Molecular Properties

• Compound Name: 1-(4-chlorophenyl)-N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]imidazole-4-carboxamide;N-[(3S)-1-(6-methylimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide;bis(N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide)
• PubChem CID: 158064710
• Molecular Formula: C₈₆H₈₅ClN₂₆O₄
• Molecular Weight: 1582.26 g/mol
• Exact Mass: 1580.69
• IUPAC Name: 1-(4-chlorophenyl)-N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]imidazole-4-carboxamide;N-[(3S)-1-(6-methylimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide;bis(N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide)
• SMILES: Cc1cn2cccc2c(N2CC[C@H](NC(=O)c3cn(-c4ccc(Cl)cc4)cn3)C2)n1.Cc1cn2cccc2c(N2CC[C@H](NC(=O)c3cn(-c4ccccc4)cn3)C2)n1.Cc1cn2cccc2c(N2CC[C@H](NC(=O)c3cn(-c4ccccc4)cn3)C2)n1.Cc1cn2ccnc2c(N2CC[C@H](NC(=O)c3ncn(-c4ccccc4)n3)C2)n1
• InChI: InChI=1S/C22H21ClN6O.2C22H22N6O.C20H20N8O/c1-15-11-27-9-2-3-20(27)21(25-15)28-10-8-17(12-28)26-22(30)19-13-29(14-24-19)18-6-4-16(23)5-7-18;2*1-16-12-26-10-5-8-20(26)21(24-16)27-11-9-17(13-27)25-22(29)19-14-28(15-23-19)18-6-3-2-4-7-18;1-14-11-27-10-8-21-18(27)19(23-14)26-9-7-15(12-26)24-20(29)17-22-13-28(25-17)16-5-3-2-4-6-16/h2-7,9,11,13-14,17H,8,10,12H2,1H3,(H,26,30);2*2-8,10,12,14-15,17H,9,11,13H2,1H3,(H,25,29);2-6,8,10-11,13,15H,7,9,12H2,1H3,(H,24,29)/t3*17-;15-/m0000/s1
• InChIKey: FLBSQYNNIYRCDH-UMVACMCTSA-N
• XLogP: 10.79
• TPSA: 295.62 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 16
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1582.26
LogP ≤ 5	10.79
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]imidazole-4-carboxamide;N-[(3S)-1-(6-methylimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide;bis(N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide)?

The IUPAC name of 1-(4-chlorophenyl)-N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]imidazole-4-carboxamide;N-[(3S)-1-(6-methylimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide;bis(N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide) (CID 158064710) is 1-(4-chlorophenyl)-N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]imidazole-4-carboxamide;N-[(3S)-1-(6-methylimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide;bis(N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide).

What is the SMILES notation for 1-(4-chlorophenyl)-N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]imidazole-4-carboxamide;N-[(3S)-1-(6-methylimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide;bis(N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide)?

The canonical SMILES for 1-(4-chlorophenyl)-N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]imidazole-4-carboxamide;N-[(3S)-1-(6-methylimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide;bis(N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide) is Cc1cn2cccc2c(N2CC[C@H](NC(=O)c3cn(-c4ccc(Cl)cc4)cn3)C2)n1.Cc1cn2cccc2c(N2CC[C@H](NC(=O)c3cn(-c4ccccc4)cn3)C2)n1.Cc1cn2cccc2c(N2CC[C@H](NC(=O)c3cn(-c4ccccc4)cn3)C2)n1.Cc1cn2ccnc2c(N2CC[C@H](NC(=O)c3ncn(-c4ccccc4)n3)C2)n1.

What is the InChIKey of 1-(4-chlorophenyl)-N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]imidazole-4-carboxamide;N-[(3S)-1-(6-methylimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide;bis(N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide)?

The InChIKey is FLBSQYNNIYRCDH-UMVACMCTSA-N. The full InChI is InChI=1S/C22H21ClN6O.2C22H22N6O.C20H20N8O/c1-15-11-27-9-2-3-20(27)21(25-15)28-10-8-17(12-28)26-22(30)19-13-29(14-24-19)18-6-4-16(23)5-7-18;2*1-16-12-26-10-5-8-20(26)21(24-16)27-11-9-17(13-27)25-22(29)19-14-28(15-23-19)18-6-3-2-4-7-18;1-14-11-27-10-8-21-18(27)19(23-14)26-9-7-15(12-26)24-20(29)17-22-13-28(25-17)16-5-3-2-4-6-16/h2-7,9,11,13-14,17H,8,10,12H2,1H3,(H,26,30);2*2-8,10,12,14-15,17H,9,11,13H2,1H3,(H,25,29);2-6,8,10-11,13,15H,7,9,12H2,1H3,(H,24,29)/t3*17-;15-/m0000/s1.

What are the key properties of 1-(4-chlorophenyl)-N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]imidazole-4-carboxamide;N-[(3S)-1-(6-methylimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide;bis(N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide)?

1-(4-chlorophenyl)-N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]imidazole-4-carboxamide;N-[(3S)-1-(6-methylimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide;bis(N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide) has a molecular weight of 1582.26 g/mol, XLogP of 10.79, 16 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chlorophenyl)-N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]imidazole-4-carboxamide;N-[(3S)-1-(6-methylimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide;bis(N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide) is sourced from PubChem (CID 158064710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158064710 — identifiers, structure, computed properties (public domain)

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