N-[(1-benzoylpyrrolidin-3-yl)methyl]-2-(4,6-difluoro-1H-indol-3-yl)-2-oxoacetamide;N-[[(3R)-1-[2-(7-bromo-4-fluoro-1H-indol-3-yl)-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;N-[[(3S)-1-[2-[4-fluoro-7-(1H-pyrazol-5-yl)-1H-indol-3-yl]-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;N-[[(3R)-1-[2-[4-fluoro-7-(1H-pyrazol-5-yl)-1H-indol-3-yl]-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;N-[[1-[2-(1H-indol-3-yl)-2-oxoacetyl]pyrrolidin-2-yl]methyl]benzamide

C116H103BrF5N19O15 — CID 159274923

About N-[(1-benzoylpyrrolidin-3-yl)methyl]-2-(4,6-difluoro-1H-indol-3-yl)-2-oxoacetamide;N-[[(3R)-1-[2-(7-bromo-4-fluoro-1H-indol-3-yl)-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;N-[[(3S)-1-[2-[4-fluoro-7-(1H-pyrazol-5-yl)-1H-indol-3-yl]-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;N-[[(3R)-1-[2-[4-fluoro-7-(1H-pyrazol-5-yl)-1H-indol-3-yl]-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;N-[[1-[2-(1H-indol-3-yl)-2-oxoacetyl]pyrrolidin-2-yl]methyl]benzamide

N-[(1-benzoylpyrrolidin-3-yl)methyl]-2-(4,6-difluoro-1H-indol-3-yl)-2-oxoacetamide;N-[[(3R)-1-[2-(7-bromo-4-fluoro-1H-indol-3-yl)-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;N-[[(3S)-1-[2-[4-fluoro-7-(1H-pyrazol-5-yl)-1H-indol-3-yl]-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;N-[[(3R)-1-[2-[4-fluoro-7-(1H-pyrazol-5-yl)-1H-indol-3-yl]-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;N-[[1-[2-(1H-indol-3-yl)-2-oxoacetyl]pyrrolidin-2-yl]methyl]benzamide (PubChem CID 159274923) has the molecular formula C116H103BrF5N19O15 and a molecular weight of 2178.11 g/mol. Its IUPAC name is N-[(1-benzoylpyrrolidin-3-yl)methyl]-2-(4,6-difluoro-1H-indol-3-yl)-2-oxoacetamide;N-[[(3R)-1-[2-(7-bromo-4-fluoro-1H-indol-3-yl)-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;N-[[(3S)-1-[2-[4-fluoro-7-(1H-pyrazol-5-yl)-1H-indol-3-yl]-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;N-[[(3R)-1-[2-[4-fluoro-7-(1H-pyrazol-5-yl)-1H-indol-3-yl]-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;N-[[1-[2-(1H-indol-3-yl)-2-oxoacetyl]pyrrolidin-2-yl]methyl]benzamide.

Molecular Properties

• Compound Name: N-[(1-benzoylpyrrolidin-3-yl)methyl]-2-(4,6-difluoro-1H-indol-3-yl)-2-oxoacetamide;N-[[(3R)-1-[2-(7-bromo-4-fluoro-1H-indol-3-yl)-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;N-[[(3S)-1-[2-[4-fluoro-7-(1H-pyrazol-5-yl)-1H-indol-3-yl]-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;N-[[(3R)-1-[2-[4-fluoro-7-(1H-pyrazol-5-yl)-1H-indol-3-yl]-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;N-[[1-[2-(1H-indol-3-yl)-2-oxoacetyl]pyrrolidin-2-yl]methyl]benzamide
• PubChem CID: 159274923
• Molecular Formula: C116H103BrF5N19O15
• Molecular Weight: 2178.11 g/mol
• Exact Mass: 2175.70
• IUPAC Name: N-[(1-benzoylpyrrolidin-3-yl)methyl]-2-(4,6-difluoro-1H-indol-3-yl)-2-oxoacetamide;N-[[(3R)-1-[2-(7-bromo-4-fluoro-1H-indol-3-yl)-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;N-[[(3S)-1-[2-[4-fluoro-7-(1H-pyrazol-5-yl)-1H-indol-3-yl]-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;N-[[(3R)-1-[2-[4-fluoro-7-(1H-pyrazol-5-yl)-1H-indol-3-yl]-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;N-[[1-[2-(1H-indol-3-yl)-2-oxoacetyl]pyrrolidin-2-yl]methyl]benzamide
• SMILES: O=C(NCC1CCCN1C(=O)C(=O)c1c[nH]c2ccccc12)c1ccccc1.O=C(NCC1CCN(C(=O)c2ccccc2)C1)C(=O)c1c[nH]c2cc(F)cc(F)c12.O=C(NC[C@@H]1CCN(C(=O)C(=O)c2c[nH]c3c(-c4ccn[nH]4)ccc(F)c23)C1)c1ccccc1.O=C(NC[C@H]1CCN(C(=O)C(=O)c2c[nH]c3c(-c4ccn[nH]4)ccc(F)c23)C1)c1ccccc1.O=C(NC[C@H]1CCN(C(=O)C(=O)c2c[nH]c3c(Br)ccc(F)c23)C1)c1ccccc1
• InChI: InChI=1S/2C25H22FN5O3.C22H19BrFN3O3.C22H19F2N3O3.C22H21N3O3/c2*26-19-7-6-17(20-8-10-29-30-20)22-21(19)18(13-27-22)23(32)25(34)31-11-9-15(14-31)12-28-24(33)16-4-2-1-3-5-16;23-16-6-7-17(24)18-15(11-25-19(16)18)20(28)22(30)27-9-8-13(12-27)10-26-21(29)14-4-2-1-3-5-14;23-15-8-17(24)19-16(11-25-18(19)9-15)20(28)21(29)26-10-13-6-7-27(12-13)22(30)14-4-2-1-3-5-14;26-20(18-14-23-19-11-5-4-10-17(18)19)22(28)25-12-6-9-16(25)13-24-21(27)15-7-2-1-3-8-15/h2*1-8,10,13,15,27H,9,11-12,14H2,(H,28,33)(H,29,30);1-7,11,13,25H,8-10,12H2,(H,26,29);1-5,8-9,11,13,25H,6-7,10,12H2,(H,26,29);1-5,7-8,10-11,14,16,23H,6,9,12-13H2,(H,24,27)/t2*15-;13-;;/m101../s1
• InChIKey: KYENGGLLIAIVJE-DUDSMGERSA-N
• XLogP: 15.53
• TPSA: 468.71 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 17
• Rotatable Bonds: 27
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2178.11
LogP ≤ 5	15.53
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzoylpyrrolidin-3-yl)methyl]-2-(4,6-difluoro-1H-indol-3-yl)-2-oxoacetamide;N-[[(3R)-1-[2-(7-bromo-4-fluoro-1H-indol-3-yl)-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;N-[[(3S)-1-[2-[4-fluoro-7-(1H-pyrazol-5-yl)-1H-indol-3-yl]-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;N-[[(3R)-1-[2-[4-fluoro-7-(1H-pyrazol-5-yl)-1H-indol-3-yl]-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;N-[[1-[2-(1H-indol-3-yl)-2-oxoacetyl]pyrrolidin-2-yl]methyl]benzamide?

The IUPAC name of N-[(1-benzoylpyrrolidin-3-yl)methyl]-2-(4,6-difluoro-1H-indol-3-yl)-2-oxoacetamide;N-[[(3R)-1-[2-(7-bromo-4-fluoro-1H-indol-3-yl)-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;N-[[(3S)-1-[2-[4-fluoro-7-(1H-pyrazol-5-yl)-1H-indol-3-yl]-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;N-[[(3R)-1-[2-[4-fluoro-7-(1H-pyrazol-5-yl)-1H-indol-3-yl]-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;N-[[1-[2-(1H-indol-3-yl)-2-oxoacetyl]pyrrolidin-2-yl]methyl]benzamide (CID 159274923) is N-[(1-benzoylpyrrolidin-3-yl)methyl]-2-(4,6-difluoro-1H-indol-3-yl)-2-oxoacetamide;N-[[(3R)-1-[2-(7-bromo-4-fluoro-1H-indol-3-yl)-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;N-[[(3S)-1-[2-[4-fluoro-7-(1H-pyrazol-5-yl)-1H-indol-3-yl]-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;N-[[(3R)-1-[2-[4-fluoro-7-(1H-pyrazol-5-yl)-1H-indol-3-yl]-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;N-[[1-[2-(1H-indol-3-yl)-2-oxoacetyl]pyrrolidin-2-yl]methyl]benzamide.

What is the SMILES notation for N-[(1-benzoylpyrrolidin-3-yl)methyl]-2-(4,6-difluoro-1H-indol-3-yl)-2-oxoacetamide;N-[[(3R)-1-[2-(7-bromo-4-fluoro-1H-indol-3-yl)-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;N-[[(3S)-1-[2-[4-fluoro-7-(1H-pyrazol-5-yl)-1H-indol-3-yl]-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;N-[[(3R)-1-[2-[4-fluoro-7-(1H-pyrazol-5-yl)-1H-indol-3-yl]-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;N-[[1-[2-(1H-indol-3-yl)-2-oxoacetyl]pyrrolidin-2-yl]methyl]benzamide?

The canonical SMILES for N-[(1-benzoylpyrrolidin-3-yl)methyl]-2-(4,6-difluoro-1H-indol-3-yl)-2-oxoacetamide;N-[[(3R)-1-[2-(7-bromo-4-fluoro-1H-indol-3-yl)-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;N-[[(3S)-1-[2-[4-fluoro-7-(1H-pyrazol-5-yl)-1H-indol-3-yl]-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;N-[[(3R)-1-[2-[4-fluoro-7-(1H-pyrazol-5-yl)-1H-indol-3-yl]-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;N-[[1-[2-(1H-indol-3-yl)-2-oxoacetyl]pyrrolidin-2-yl]methyl]benzamide is O=C(NCC1CCCN1C(=O)C(=O)c1c[nH]c2ccccc12)c1ccccc1.O=C(NCC1CCN(C(=O)c2ccccc2)C1)C(=O)c1c[nH]c2cc(F)cc(F)c12.O=C(NC[C@@H]1CCN(C(=O)C(=O)c2c[nH]c3c(-c4ccn[nH]4)ccc(F)c23)C1)c1ccccc1.O=C(NC[C@H]1CCN(C(=O)C(=O)c2c[nH]c3c(-c4ccn[nH]4)ccc(F)c23)C1)c1ccccc1.O=C(NC[C@H]1CCN(C(=O)C(=O)c2c[nH]c3c(Br)ccc(F)c23)C1)c1ccccc1.

What is the InChIKey of N-[(1-benzoylpyrrolidin-3-yl)methyl]-2-(4,6-difluoro-1H-indol-3-yl)-2-oxoacetamide;N-[[(3R)-1-[2-(7-bromo-4-fluoro-1H-indol-3-yl)-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;N-[[(3S)-1-[2-[4-fluoro-7-(1H-pyrazol-5-yl)-1H-indol-3-yl]-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;N-[[(3R)-1-[2-[4-fluoro-7-(1H-pyrazol-5-yl)-1H-indol-3-yl]-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;N-[[1-[2-(1H-indol-3-yl)-2-oxoacetyl]pyrrolidin-2-yl]methyl]benzamide?

The InChIKey is KYENGGLLIAIVJE-DUDSMGERSA-N. The full InChI is InChI=1S/2C25H22FN5O3.C22H19BrFN3O3.C22H19F2N3O3.C22H21N3O3/c2*26-19-7-6-17(20-8-10-29-30-20)22-21(19)18(13-27-22)23(32)25(34)31-11-9-15(14-31)12-28-24(33)16-4-2-1-3-5-16;23-16-6-7-17(24)18-15(11-25-19(16)18)20(28)22(30)27-9-8-13(12-27)10-26-21(29)14-4-2-1-3-5-14;23-15-8-17(24)19-16(11-25-18(19)9-15)20(28)21(29)26-10-13-6-7-27(12-13)22(30)14-4-2-1-3-5-14;26-20(18-14-23-19-11-5-4-10-17(18)19)22(28)25-12-6-9-16(25)13-24-21(27)15-7-2-1-3-8-15/h2*1-8,10,13,15,27H,9,11-12,14H2,(H,28,33)(H,29,30);1-7,11,13,25H,8-10,12H2,(H,26,29);1-5,8-9,11,13,25H,6-7,10,12H2,(H,26,29);1-5,7-8,10-11,14,16,23H,6,9,12-13H2,(H,24,27)/t2*15-;13-;;/m101../s1.

What are the key properties of N-[(1-benzoylpyrrolidin-3-yl)methyl]-2-(4,6-difluoro-1H-indol-3-yl)-2-oxoacetamide;N-[[(3R)-1-[2-(7-bromo-4-fluoro-1H-indol-3-yl)-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;N-[[(3S)-1-[2-[4-fluoro-7-(1H-pyrazol-5-yl)-1H-indol-3-yl]-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;N-[[(3R)-1-[2-[4-fluoro-7-(1H-pyrazol-5-yl)-1H-indol-3-yl]-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;N-[[1-[2-(1H-indol-3-yl)-2-oxoacetyl]pyrrolidin-2-yl]methyl]benzamide?

N-[(1-benzoylpyrrolidin-3-yl)methyl]-2-(4,6-difluoro-1H-indol-3-yl)-2-oxoacetamide;N-[[(3R)-1-[2-(7-bromo-4-fluoro-1H-indol-3-yl)-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;N-[[(3S)-1-[2-[4-fluoro-7-(1H-pyrazol-5-yl)-1H-indol-3-yl]-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;N-[[(3R)-1-[2-[4-fluoro-7-(1H-pyrazol-5-yl)-1H-indol-3-yl]-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;N-[[1-[2-(1H-indol-3-yl)-2-oxoacetyl]pyrrolidin-2-yl]methyl]benzamide has a molecular weight of 2178.11 g/mol, XLogP of 15.53, 27 rotatable bonds, 12 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1-benzoylpyrrolidin-3-yl)methyl]-2-(4,6-difluoro-1H-indol-3-yl)-2-oxoacetamide;N-[[(3R)-1-[2-(7-bromo-4-fluoro-1H-indol-3-yl)-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;N-[[(3S)-1-[2-[4-fluoro-7-(1H-pyrazol-5-yl)-1H-indol-3-yl]-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;N-[[(3R)-1-[2-[4-fluoro-7-(1H-pyrazol-5-yl)-1H-indol-3-yl]-2-oxoacetyl]pyrrolidin-3-yl]methyl]benzamide;N-[[1-[2-(1H-indol-3-yl)-2-oxoacetyl]pyrrolidin-2-yl]methyl]benzamide is sourced from PubChem (CID 159274923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).