2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[1-[[6-amino-1-[[2-[(10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl)amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]-N-[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]-2-azaspiro[3.3]heptane-6-carboxamide

C92H125FN10O24 — CID 176597122

About 2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[1-[[6-amino-1-[[2-[(10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl)amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]-N-[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]-2-azaspiro[3.3]heptane-6-carboxamide

2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[1-[[6-amino-1-[[2-[(10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl)amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]-N-[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]-2-azaspiro[3.3]heptane-6-carboxamide (PubChem CID 176597122) has the molecular formula C92H125FN10O24 and a molecular weight of 1774.06 g/mol. Its IUPAC name is 2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[1-[[6-amino-1-[[2-[(10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl)amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]-N-[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]-2-azaspiro[3.3]heptane-6-carboxamide.

Molecular Properties

• Compound Name: 2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[1-[[6-amino-1-[[2-[(10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl)amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]-N-[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]-2-azaspiro[3.3]heptane-6-carboxamide
• PubChem CID: 176597122
• Molecular Formula: C92H125FN10O24
• Molecular Weight: 1774.06 g/mol
• Exact Mass: 1772.89
• IUPAC Name: 2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[1-[[6-amino-1-[[2-[(10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl)amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]-N-[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]-2-azaspiro[3.3]heptane-6-carboxamide
• SMILES: CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2C(NC(=O)CNC(=O)C(CCCCN)NC(=O)C(NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)N1CC2(CC(C(=O)NCCC(=O)N4Cc5ccccc5C#Cc5ccccc54)C2)C1)C(C)C)CC3
• InChI: InChI=1S/C92H125FN10O24/c1-5-92(113)71-52-77-85-69(58-103(77)89(111)70(71)59-127-90(92)112)83-73(20-19-68-63(4)72(93)53-75(98-85)82(68)83)97-79(105)56-96-87(109)74(15-10-11-24-94)99-88(110)84(62(2)3)100-78(104)22-26-114-28-30-116-32-34-118-36-38-120-40-42-122-44-46-124-48-50-126-51-49-125-47-45-123-43-41-121-39-37-119-35-33-117-31-29-115-27-23-80(106)101-60-91(61-101)54-67(55-91)86(108)95-25-21-81(107)102-57-66-14-7-6-12-64(66)17-18-65-13-8-9-16-76(65)102/h6-9,12-14,16,52-53,62,67,73-74,84,113H,5,10-11,15,19-51,54-61,94H2,1-4H3,(H,95,108)(H,96,109)(H,97,105)(H,99,110)(H,100,104)
• InChIKey: BYSKTHCLNWMUGS-UHFFFAOYSA-N
• XLogP: 4.19
• TPSA: 413.55 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 27
• Rotatable Bonds: 59
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1774.06
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[1-[[6-amino-1-[[2-[(10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl)amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]-N-[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]-2-azaspiro[3.3]heptane-6-carboxamide?

The IUPAC name of 2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[1-[[6-amino-1-[[2-[(10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl)amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]-N-[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]-2-azaspiro[3.3]heptane-6-carboxamide (CID 176597122) is 2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[1-[[6-amino-1-[[2-[(10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl)amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]-N-[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]-2-azaspiro[3.3]heptane-6-carboxamide.

What is the SMILES notation for 2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[1-[[6-amino-1-[[2-[(10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl)amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]-N-[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]-2-azaspiro[3.3]heptane-6-carboxamide?

The canonical SMILES for 2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[1-[[6-amino-1-[[2-[(10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl)amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]-N-[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]-2-azaspiro[3.3]heptane-6-carboxamide is CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2C(NC(=O)CNC(=O)C(CCCCN)NC(=O)C(NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)N1CC2(CC(C(=O)NCCC(=O)N4Cc5ccccc5C#Cc5ccccc54)C2)C1)C(C)C)CC3.

What is the InChIKey of 2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[1-[[6-amino-1-[[2-[(10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl)amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]-N-[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]-2-azaspiro[3.3]heptane-6-carboxamide?

The InChIKey is BYSKTHCLNWMUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H125FN10O24/c1-5-92(113)71-52-77-85-69(58-103(77)89(111)70(71)59-127-90(92)112)83-73(20-19-68-63(4)72(93)53-75(98-85)82(68)83)97-79(105)56-96-87(109)74(15-10-11-24-94)99-88(110)84(62(2)3)100-78(104)22-26-114-28-30-116-32-34-118-36-38-120-40-42-122-44-46-124-48-50-126-51-49-125-47-45-123-43-41-121-39-37-119-35-33-117-31-29-115-27-23-80(106)101-60-91(61-101)54-67(55-91)86(108)95-25-21-81(107)102-57-66-14-7-6-12-64(66)17-18-65-13-8-9-16-76(65)102/h6-9,12-14,16,52-53,62,67,73-74,84,113H,5,10-11,15,19-51,54-61,94H2,1-4H3,(H,95,108)(H,96,109)(H,97,105)(H,99,110)(H,100,104).

What are the key properties of 2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[1-[[6-amino-1-[[2-[(10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl)amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]-N-[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]-2-azaspiro[3.3]heptane-6-carboxamide?

2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[1-[[6-amino-1-[[2-[(10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl)amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]-N-[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]-2-azaspiro[3.3]heptane-6-carboxamide has a molecular weight of 1774.06 g/mol, XLogP of 4.19, 59 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[1-[[6-amino-1-[[2-[(10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl)amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]-N-[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]-2-azaspiro[3.3]heptane-6-carboxamide is sourced from PubChem (CID 176597122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).