4-amino-2-(6-oxopiperidin-3-yl)-3H-isoindol-1-one;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;methane;2-(6-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3H-isoindol-1-one;2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]acetaldehyde;2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

C121H133FN18O21 — CID 167604661

About 4-amino-2-(6-oxopiperidin-3-yl)-3H-isoindol-1-one;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;methane;2-(6-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3H-isoindol-1-one;2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]acetaldehyde;2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

4-amino-2-(6-oxopiperidin-3-yl)-3H-isoindol-1-one;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;methane;2-(6-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3H-isoindol-1-one;2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]acetaldehyde;2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol (PubChem CID 167604661) has the molecular formula C121H133FN18O21 and a molecular weight of 2194.50 g/mol. Its IUPAC name is 4-amino-2-(6-oxopiperidin-3-yl)-3H-isoindol-1-one;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;methane;2-(6-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3H-isoindol-1-one;2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]acetaldehyde;2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

• Compound Name: 4-amino-2-(6-oxopiperidin-3-yl)-3H-isoindol-1-one;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;methane;2-(6-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3H-isoindol-1-one;2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]acetaldehyde;2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
• PubChem CID: 167604661
• Molecular Formula: C121H133FN18O21
• Molecular Weight: 2194.50 g/mol
• Exact Mass: 2192.99
• IUPAC Name: 4-amino-2-(6-oxopiperidin-3-yl)-3H-isoindol-1-one;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;methane;2-(6-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3H-isoindol-1-one;2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]acetaldehyde;2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
• SMILES: C.Fc1ccc(-c2ccc3c(c2)[nH]c2ccncc23)cn1.Nc1cccc2c1CN(C1CCC(=O)NC1)C2=O.O=C1CCC(N2Cc3c(NCCOCCOCCOCCOCCOc4ccc(-c5ccc6c(c5)[nH]c5ccncc56)cn4)cccc3C2=O)CN1.O=CCOCCOCCOCCOCCOc1ccc(-c2ccc3c(c2)[nH]c2ccncc23)cn1.OCCOCCOCCOCCOCCOc1ccc(-c2ccc3c(c2)[nH]c2ccncc23)cn1
• InChI: InChI=1S/C39H44N6O7.C26H31N3O6.C26H29N3O6.C16H10FN3.C13H15N3O2.CH4/c46-37-8-6-29(24-42-37)45-26-33-31(39(45)47)2-1-3-34(33)41-12-13-48-14-15-49-16-17-50-18-19-51-20-21-52-38-9-5-28(23-43-38)27-4-7-30-32-25-40-11-10-35(32)44-36(30)22-27;2*30-7-8-31-9-10-32-11-12-33-13-14-34-15-16-35-26-4-2-21(18-28-26)20-1-3-22-23-19-27-6-5-24(23)29-25(22)17-20;17-16-4-2-11(8-19-16)10-1-3-12-13-9-18-6-5-14(13)20-15(12)7-10;14-11-3-1-2-9-10(11)7-16(13(9)18)8-4-5-12(17)15-6-8;/h1-5,7,9-11,22-23,25,29,41,44H,6,8,12-21,24,26H2,(H,42,46);1-6,17-19,29-30H,7-16H2;1-7,17-19,29H,8-16H2;1-9,20H;1-3,8H,4-7,14H2,(H,15,17);1H4
• InChIKey: KFFHRCFFCOBCFP-UHFFFAOYSA-N
• XLogP: 16.26
• TPSA: 478.90 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 31
• Rotatable Bonds: 53
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2194.50
LogP ≤ 5	16.26
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(6-oxopiperidin-3-yl)-3H-isoindol-1-one;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;methane;2-(6-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3H-isoindol-1-one;2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]acetaldehyde;2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?

The IUPAC name of 4-amino-2-(6-oxopiperidin-3-yl)-3H-isoindol-1-one;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;methane;2-(6-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3H-isoindol-1-one;2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]acetaldehyde;2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol (CID 167604661) is 4-amino-2-(6-oxopiperidin-3-yl)-3H-isoindol-1-one;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;methane;2-(6-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3H-isoindol-1-one;2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]acetaldehyde;2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol.

What is the SMILES notation for 4-amino-2-(6-oxopiperidin-3-yl)-3H-isoindol-1-one;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;methane;2-(6-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3H-isoindol-1-one;2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]acetaldehyde;2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?

The canonical SMILES for 4-amino-2-(6-oxopiperidin-3-yl)-3H-isoindol-1-one;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;methane;2-(6-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3H-isoindol-1-one;2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]acetaldehyde;2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol is C.Fc1ccc(-c2ccc3c(c2)[nH]c2ccncc23)cn1.Nc1cccc2c1CN(C1CCC(=O)NC1)C2=O.O=C1CCC(N2Cc3c(NCCOCCOCCOCCOCCOc4ccc(-c5ccc6c(c5)[nH]c5ccncc56)cn4)cccc3C2=O)CN1.O=CCOCCOCCOCCOCCOc1ccc(-c2ccc3c(c2)[nH]c2ccncc23)cn1.OCCOCCOCCOCCOCCOc1ccc(-c2ccc3c(c2)[nH]c2ccncc23)cn1.

What is the InChIKey of 4-amino-2-(6-oxopiperidin-3-yl)-3H-isoindol-1-one;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;methane;2-(6-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3H-isoindol-1-one;2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]acetaldehyde;2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?

The InChIKey is KFFHRCFFCOBCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H44N6O7.C26H31N3O6.C26H29N3O6.C16H10FN3.C13H15N3O2.CH4/c46-37-8-6-29(24-42-37)45-26-33-31(39(45)47)2-1-3-34(33)41-12-13-48-14-15-49-16-17-50-18-19-51-20-21-52-38-9-5-28(23-43-38)27-4-7-30-32-25-40-11-10-35(32)44-36(30)22-27;2*30-7-8-31-9-10-32-11-12-33-13-14-34-15-16-35-26-4-2-21(18-28-26)20-1-3-22-23-19-27-6-5-24(23)29-25(22)17-20;17-16-4-2-11(8-19-16)10-1-3-12-13-9-18-6-5-14(13)20-15(12)7-10;14-11-3-1-2-9-10(11)7-16(13(9)18)8-4-5-12(17)15-6-8;/h1-5,7,9-11,22-23,25,29,41,44H,6,8,12-21,24,26H2,(H,42,46);1-6,17-19,29-30H,7-16H2;1-7,17-19,29H,8-16H2;1-9,20H;1-3,8H,4-7,14H2,(H,15,17);1H4.

What are the key properties of 4-amino-2-(6-oxopiperidin-3-yl)-3H-isoindol-1-one;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;methane;2-(6-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3H-isoindol-1-one;2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]acetaldehyde;2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?

4-amino-2-(6-oxopiperidin-3-yl)-3H-isoindol-1-one;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;methane;2-(6-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3H-isoindol-1-one;2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]acetaldehyde;2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 2194.50 g/mol, XLogP of 16.26, 53 rotatable bonds, 9 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-2-(6-oxopiperidin-3-yl)-3H-isoindol-1-one;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;methane;2-(6-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3H-isoindol-1-one;2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]acetaldehyde;2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 167604661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).