6-N-[1-[6-[8-[6-[[[6-[1-[6-[8-[6-[3-[6-[1-(6-hexoxynaphthalen-2-yl)ethylcarbamoyl]-2-pyridinyl]-3-oxopropyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethylcarbamoyl]pyridine-2-carbonyl]amino]methyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethyl]-2-N-[(6-hexoxynaphthalen-2-yl)methyl]pyridine-2,6-dicarboxamide;lutetium(3+);tris(trifluoromethanesulfonate)

C122H128F9LuN8O21S3 — CID 146672051

IUPAC6-N-[1-[6-[8-[6-[[[6-[1-[6-[8-[6-[3-[6-[1-(6-hexoxynaphthalen-2-yl)ethylcarbamoyl]-2-pyridinyl]-3-oxopropyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethylcarbamoyl]pyridine-2-carbonyl]amino]methyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethyl]-2-N-[(6-hexoxynaphthalen-2-yl)methyl]pyridine-2,6-dicarboxamide;lutetium(3+);tris(trifluoromethanesulfonate)
SMILESCCCCCCOc1ccc2cc(CNC(=O)c3cccc(C(=O)NC(C)c4ccc5cc(OCCCCCCCCOc6ccc7cc(CNC(=O)c8cccc(C(=O)NC(C)c9ccc%10cc(OCCCCCCCCOc%11ccc%12cc(CCC(=O)c%13cccc(C(=O)NC(C)c%14ccc%15cc(OCCCCCC)ccc%15c%14)n%13)ccc%12c%11)ccc%10c9)n8)ccc7c6)ccc5c4)n3)ccc2c1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Lu+3]
InChIInChI=1S/C119H128N8O12.3CHF3O3S.Lu/c1-6-8-10-20-61-134-103-55-49-91-68-85(36-40-97(91)74-103)79-120-115(129)109-30-27-33-112(126-109)118(132)123-82(4)88-44-47-101-78-107(59-53-95(101)72-88)139-66-25-19-15-13-17-23-64-137-104-56-50-92-69-86(37-41-98(92)75-104)80-121-116(130)110-31-28-34-113(127-110)119(133)124-83(5)89-43-46-100-77-106(58-52-94(100)71-89)138-65-24-18-14-12-16-22-63-136-102-54-48-90-67-84(35-39-96(90)73-102)38-60-114(128)108-29-26-32-111(125-108)117(131)122-81(3)87-42-45-99-76-105(57-51-93(99)70-87)135-62-21-11-9-7-2;3*2-1(3,4)8(5,6)7;/h26-37,39-59,67-78,81-83H,6-25,38,60-66,79-80H2,1-5H3,(H,120,129)(H,121,130)(H,122,131)(H,123,132)(H,124,133);3*(H,5,6,7);/q;;;;+3/p-3
InChIKeyBGARCZASLMIWFR-UHFFFAOYSA-K
MW2484.55 g/mol
LogP26.61
Rot. Bonds53

About 6-N-[1-[6-[8-[6-[[[6-[1-[6-[8-[6-[3-[6-[1-(6-hexoxynaphthalen-2-yl)ethylcarbamoyl]-2-pyridinyl]-3-oxopropyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethylcarbamoyl]pyridine-2-carbonyl]amino]methyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethyl]-2-N-[(6-hexoxynaphthalen-2-yl)methyl]pyridine-2,6-dicarboxamide;lutetium(3+);tris(trifluoromethanesulfonate)

6-N-[1-[6-[8-[6-[[[6-[1-[6-[8-[6-[3-[6-[1-(6-hexoxynaphthalen-2-yl)ethylcarbamoyl]-2-pyridinyl]-3-oxopropyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethylcarbamoyl]pyridine-2-carbonyl]amino]methyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethyl]-2-N-[(6-hexoxynaphthalen-2-yl)methyl]pyridine-2,6-dicarboxamide;lutetium(3+);tris(trifluoromethanesulfonate) (PubChem CID 146672051) has the molecular formula C122H128F9LuN8O21S3 and a molecular weight of 2484.55 g/mol. Its IUPAC name is 6-N-[1-[6-[8-[6-[[[6-[1-[6-[8-[6-[3-[6-[1-(6-hexoxynaphthalen-2-yl)ethylcarbamoyl]-2-pyridinyl]-3-oxopropyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethylcarbamoyl]pyridine-2-carbonyl]amino]methyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethyl]-2-N-[(6-hexoxynaphthalen-2-yl)methyl]pyridine-2,6-dicarboxamide;lutetium(3+);tris(trifluoromethanesulfonate).

Molecular Properties

Compound Name6-N-[1-[6-[8-[6-[[[6-[1-[6-[8-[6-[3-[6-[1-(6-hexoxynaphthalen-2-yl)ethylcarbamoyl]-2-pyridinyl]-3-oxopropyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethylcarbamoyl]pyridine-2-carbonyl]amino]methyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethyl]-2-N-[(6-hexoxynaphthalen-2-yl)methyl]pyridine-2,6-dicarboxamide;lutetium(3+);tris(trifluoromethanesulfonate)
PubChem CID146672051
Molecular FormulaC122H128F9LuN8O21S3
Molecular Weight2484.55 g/mol
Exact Mass2482.76
IUPAC Name6-N-[1-[6-[8-[6-[[[6-[1-[6-[8-[6-[3-[6-[1-(6-hexoxynaphthalen-2-yl)ethylcarbamoyl]-2-pyridinyl]-3-oxopropyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethylcarbamoyl]pyridine-2-carbonyl]amino]methyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethyl]-2-N-[(6-hexoxynaphthalen-2-yl)methyl]pyridine-2,6-dicarboxamide;lutetium(3+);tris(trifluoromethanesulfonate)
SMILESCCCCCCOc1ccc2cc(CNC(=O)c3cccc(C(=O)NC(C)c4ccc5cc(OCCCCCCCCOc6ccc7cc(CNC(=O)c8cccc(C(=O)NC(C)c9ccc%10cc(OCCCCCCCCOc%11ccc%12cc(CCC(=O)c%13cccc(C(=O)NC(C)c%14ccc%15cc(OCCCCCC)ccc%15c%14)n%13)ccc%12c%11)ccc%10c9)n8)ccc7c6)ccc5c4)n3)ccc2c1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Lu+3]
InChIInChI=1S/C119H128N8O12.3CHF3O3S.Lu/c1-6-8-10-20-61-134-103-55-49-91-68-85(36-40-97(91)74-103)79-120-115(129)109-30-27-33-112(126-109)118(132)123-82(4)88-44-47-101-78-107(59-53-95(101)72-88)139-66-25-19-15-13-17-23-64-137-104-56-50-92-69-86(37-41-98(92)75-104)80-121-116(130)110-31-28-34-113(127-110)119(133)124-83(5)89-43-46-100-77-106(58-52-94(100)71-89)138-65-24-18-14-12-16-22-63-136-102-54-48-90-67-84(35-39-96(90)73-102)38-60-114(128)108-29-26-32-111(125-108)117(131)122-81(3)87-42-45-99-76-105(57-51-93(99)70-87)135-62-21-11-9-7-2;3*2-1(3,4)8(5,6)7;/h26-37,39-59,67-78,81-83H,6-25,38,60-66,79-80H2,1-5H3,(H,120,129)(H,121,130)(H,122,131)(H,123,132)(H,124,133);3*(H,5,6,7);/q;;;;+3/p-3
InChIKeyBGARCZASLMIWFR-UHFFFAOYSA-K
XLogP26.61
TPSA428.22 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds53
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002484.55
LogP ≤ 526.61
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze 6-N-[1-[6-[8-[6-[[[6-[1-[6-[8-[6-[3-[6-[1-(6-hexoxynaphthalen-2-yl)ethylcarbamoyl]-2-pyridinyl]-3-oxopropyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethylcarbamoyl]pyridine-2-carbonyl]amino]methyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethyl]-2-N-[(6-hexoxynaphthalen-2-yl)methyl]pyridine-2,6-dicarboxamide;lutetium(3+);tris(trifluoromethanesulfonate) with MolForge

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Related Compounds

bis(4,7-bis(2-methylpropoxy)-9-N-phenyl-2-N-[(1R)-1-phenylethyl]-1,10-phenanthrolin-10-ium-2,9-dicarboxamide);bis(trifluoromethanesulfonate)
CID 139038660
Lutetium complex of strand 4
CID 146672038
Lutetium complex of strand 2
CID 146672045
Lutetium complex of strand 3
CID 146672046
7-(4-tert-butylphenoxy)-1-(2-ethylbutyl)-N-[3-oxo-1-[4-(trifluoromethyl)phenyl]butan-2-yl]isoquinoline-3-carboxamide
CID 143002028
N-[4-[[2-[3-[4-[[(3S,5R)-3,5-dimethylpiperazin-1-yl]methyl]-2-(morpholin-4-ylmethyl)phenyl]phenoxy]-5-fluoro-3,4-dihydropyridine-3-carbonyl]amino]cyclohexyl]quinoline-2-carboxamide
CID 149020880
5-[2-[3-(1,1-difluoroethyl)-5-fluorophenoxy]ethyl]-N-(2-methylbutyl)pyridine-2-carboxamide;5-[[2-(1,1-difluoroethyl)phenyl]methoxymethyl]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide;5-[2-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenoxy]ethyl]-N-(2-methylpropyl)pyridine-2-carboxamide;5-[(3-fluoro-4-methylphenyl)methoxymethyl]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide;5-[(3-fluorophenyl)methoxymethyl]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide;5-[2-[3-fluoro-5-(trifluoromethyl)phenoxy]ethyl]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 157907869
N-[(1R)-1-(6-amino-2-pyridinyl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1S)-1-(6-amino-2-pyridinyl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[1-(6-amino-2-pyridinyl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;methyl thiohypofluorite
CID 158373439
4-[[7-[[3-(aminomethyl)-5-(trifluoromethyl)phenyl]carbamoyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide;methyl N-[[3-[[7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]methyl]carbamate
CID 159505726
4-[5-[2-[4-(2,4-difluoro-3-pyridinyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;N-methyl-4-[5-[2-[3-(3-methylbut-2-enoyl)-4-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide
CID 160796248
N-[(1R)-3-hydroxy-1-pyridin-2-ylpropyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1S)-3-hydroxy-1-pyridin-2-ylpropyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 161379179
(1S)-1-pyridin-2-ylethanamine;N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid
CID 161965271

Frequently Asked Questions

What is the IUPAC name of 6-N-[1-[6-[8-[6-[[[6-[1-[6-[8-[6-[3-[6-[1-(6-hexoxynaphthalen-2-yl)ethylcarbamoyl]-2-pyridinyl]-3-oxopropyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethylcarbamoyl]pyridine-2-carbonyl]amino]methyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethyl]-2-N-[(6-hexoxynaphthalen-2-yl)methyl]pyridine-2,6-dicarboxamide;lutetium(3+);tris(trifluoromethanesulfonate)?
The IUPAC name of 6-N-[1-[6-[8-[6-[[[6-[1-[6-[8-[6-[3-[6-[1-(6-hexoxynaphthalen-2-yl)ethylcarbamoyl]-2-pyridinyl]-3-oxopropyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethylcarbamoyl]pyridine-2-carbonyl]amino]methyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethyl]-2-N-[(6-hexoxynaphthalen-2-yl)methyl]pyridine-2,6-dicarboxamide;lutetium(3+);tris(trifluoromethanesulfonate) (CID 146672051) is 6-N-[1-[6-[8-[6-[[[6-[1-[6-[8-[6-[3-[6-[1-(6-hexoxynaphthalen-2-yl)ethylcarbamoyl]-2-pyridinyl]-3-oxopropyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethylcarbamoyl]pyridine-2-carbonyl]amino]methyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethyl]-2-N-[(6-hexoxynaphthalen-2-yl)methyl]pyridine-2,6-dicarboxamide;lutetium(3+);tris(trifluoromethanesulfonate).
What is the SMILES notation for 6-N-[1-[6-[8-[6-[[[6-[1-[6-[8-[6-[3-[6-[1-(6-hexoxynaphthalen-2-yl)ethylcarbamoyl]-2-pyridinyl]-3-oxopropyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethylcarbamoyl]pyridine-2-carbonyl]amino]methyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethyl]-2-N-[(6-hexoxynaphthalen-2-yl)methyl]pyridine-2,6-dicarboxamide;lutetium(3+);tris(trifluoromethanesulfonate)?
The canonical SMILES for 6-N-[1-[6-[8-[6-[[[6-[1-[6-[8-[6-[3-[6-[1-(6-hexoxynaphthalen-2-yl)ethylcarbamoyl]-2-pyridinyl]-3-oxopropyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethylcarbamoyl]pyridine-2-carbonyl]amino]methyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethyl]-2-N-[(6-hexoxynaphthalen-2-yl)methyl]pyridine-2,6-dicarboxamide;lutetium(3+);tris(trifluoromethanesulfonate) is CCCCCCOc1ccc2cc(CNC(=O)c3cccc(C(=O)NC(C)c4ccc5cc(OCCCCCCCCOc6ccc7cc(CNC(=O)c8cccc(C(=O)NC(C)c9ccc%10cc(OCCCCCCCCOc%11ccc%12cc(CCC(=O)c%13cccc(C(=O)NC(C)c%14ccc%15cc(OCCCCCC)ccc%15c%14)n%13)ccc%12c%11)ccc%10c9)n8)ccc7c6)ccc5c4)n3)ccc2c1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Lu+3].
What is the InChIKey of 6-N-[1-[6-[8-[6-[[[6-[1-[6-[8-[6-[3-[6-[1-(6-hexoxynaphthalen-2-yl)ethylcarbamoyl]-2-pyridinyl]-3-oxopropyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethylcarbamoyl]pyridine-2-carbonyl]amino]methyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethyl]-2-N-[(6-hexoxynaphthalen-2-yl)methyl]pyridine-2,6-dicarboxamide;lutetium(3+);tris(trifluoromethanesulfonate)?
The InChIKey is BGARCZASLMIWFR-UHFFFAOYSA-K. The full InChI is InChI=1S/C119H128N8O12.3CHF3O3S.Lu/c1-6-8-10-20-61-134-103-55-49-91-68-85(36-40-97(91)74-103)79-120-115(129)109-30-27-33-112(126-109)118(132)123-82(4)88-44-47-101-78-107(59-53-95(101)72-88)139-66-25-19-15-13-17-23-64-137-104-56-50-92-69-86(37-41-98(92)75-104)80-121-116(130)110-31-28-34-113(127-110)119(133)124-83(5)89-43-46-100-77-106(58-52-94(100)71-89)138-65-24-18-14-12-16-22-63-136-102-54-48-90-67-84(35-39-96(90)73-102)38-60-114(128)108-29-26-32-111(125-108)117(131)122-81(3)87-42-45-99-76-105(57-51-93(99)70-87)135-62-21-11-9-7-2;3*2-1(3,4)8(5,6)7;/h26-37,39-59,67-78,81-83H,6-25,38,60-66,79-80H2,1-5H3,(H,120,129)(H,121,130)(H,122,131)(H,123,132)(H,124,133);3*(H,5,6,7);/q;;;;+3/p-3.
What are the key properties of 6-N-[1-[6-[8-[6-[[[6-[1-[6-[8-[6-[3-[6-[1-(6-hexoxynaphthalen-2-yl)ethylcarbamoyl]-2-pyridinyl]-3-oxopropyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethylcarbamoyl]pyridine-2-carbonyl]amino]methyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethyl]-2-N-[(6-hexoxynaphthalen-2-yl)methyl]pyridine-2,6-dicarboxamide;lutetium(3+);tris(trifluoromethanesulfonate)?
6-N-[1-[6-[8-[6-[[[6-[1-[6-[8-[6-[3-[6-[1-(6-hexoxynaphthalen-2-yl)ethylcarbamoyl]-2-pyridinyl]-3-oxopropyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethylcarbamoyl]pyridine-2-carbonyl]amino]methyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethyl]-2-N-[(6-hexoxynaphthalen-2-yl)methyl]pyridine-2,6-dicarboxamide;lutetium(3+);tris(trifluoromethanesulfonate) has a molecular weight of 2484.55 g/mol, XLogP of 26.61, 53 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[1-[6-[8-[6-[[[6-[1-[6-[8-[6-[3-[6-[1-(6-hexoxynaphthalen-2-yl)ethylcarbamoyl]-2-pyridinyl]-3-oxopropyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethylcarbamoyl]pyridine-2-carbonyl]amino]methyl]naphthalen-2-yl]oxyoctoxy]naphthalen-2-yl]ethyl]-2-N-[(6-hexoxynaphthalen-2-yl)methyl]pyridine-2,6-dicarboxamide;lutetium(3+);tris(trifluoromethanesulfonate) is sourced from PubChem (CID 146672051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).