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[3.5]nonane-7-carboxamide

C94H129FN10O24 — CID 176597137

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[3.5]nonane-7-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[3.5]nonane-7-carboxamide (PubChem CID 176597137) has the molecular formula C94H129FN10O24 and a molecular weight of 1802.11 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[3.5]nonane-7-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[3.5]nonane-7-carboxamide
• PubChem CID: 176597137
• Molecular Formula: C94H129FN10O24
• Molecular Weight: 1802.11 g/mol
• Exact Mass: 1800.92
• 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[3.5]nonane-7-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(CCC(C(=O)NCCC(=O)N4Cc5ccccc5C#Cc5ccccc54)CC2)C1)C(C)C)CC3
• InChI: InChI=1S/C94H129FN10O24/c1-5-94(115)73-56-79-87-71(60-105(79)91(113)72(73)61-129-92(94)114)85-75(20-19-70-65(4)74(95)57-77(100-87)84(70)85)99-81(107)58-98-89(111)76(15-10-11-28-96)101-90(112)86(64(2)3)102-80(106)24-30-116-32-34-118-36-38-120-40-42-122-44-46-124-48-50-126-52-54-128-55-53-127-51-49-125-47-45-123-43-41-121-39-37-119-35-33-117-31-25-82(108)103-62-93(63-103)26-21-68(22-27-93)88(110)97-29-23-83(109)104-59-69-14-7-6-12-66(69)17-18-67-13-8-9-16-78(67)104/h6-9,12-14,16,56-57,64,68,75-76,86,115H,5,10-11,15,19-55,58-63,96H2,1-4H3,(H,97,110)(H,98,111)(H,99,107)(H,101,112)(H,102,106)
• InChIKey: AIOWXDMZGRTHAI-UHFFFAOYSA-N
• XLogP: 4.97
• TPSA: 413.55 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 27
• Rotatable Bonds: 59
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1802.11
LogP ≤ 5	4.97
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[3.5]nonane-7-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[3.5]nonane-7-carboxamide (CID 176597137) 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[3.5]nonane-7-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[3.5]nonane-7-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[3.5]nonane-7-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(CCC(C(=O)NCCC(=O)N4Cc5ccccc5C#Cc5ccccc54)CC2)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[3.5]nonane-7-carboxamide?

The InChIKey is AIOWXDMZGRTHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H129FN10O24/c1-5-94(115)73-56-79-87-71(60-105(79)91(113)72(73)61-129-92(94)114)85-75(20-19-70-65(4)74(95)57-77(100-87)84(70)85)99-81(107)58-98-89(111)76(15-10-11-28-96)101-90(112)86(64(2)3)102-80(106)24-30-116-32-34-118-36-38-120-40-42-122-44-46-124-48-50-126-52-54-128-55-53-127-51-49-125-47-45-123-43-41-121-39-37-119-35-33-117-31-25-82(108)103-62-93(63-103)26-21-68(22-27-93)88(110)97-29-23-83(109)104-59-69-14-7-6-12-66(69)17-18-67-13-8-9-16-78(67)104/h6-9,12-14,16,56-57,64,68,75-76,86,115H,5,10-11,15,19-55,58-63,96H2,1-4H3,(H,97,110)(H,98,111)(H,99,107)(H,101,112)(H,102,106).

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[3.5]nonane-7-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[3.5]nonane-7-carboxamide has a molecular weight of 1802.11 g/mol, XLogP of 4.97, 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[3.5]nonane-7-carboxamide is sourced from PubChem (CID 176597137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).