tert-butyl 3-[2-methyl-6-[6-[[6-[6-[[6-[6-methyl-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxymethyl]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]-4-pyridinyl]propanoate

C64H80N6O10 — CID 15163216

IUPACtert-butyl 3-[2-methyl-6-[6-[[6-[6-[[6-[6-methyl-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxymethyl]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]-4-pyridinyl]propanoate
SMILESCc1cc(CCC(=O)OC(C)(C)C)cc(-c2cc(CCC(=O)OC(C)(C)C)cc(COCc3cccc(-c4cccc(COCc5cc(CCC(=O)OC(C)(C)C)cc(-c6cc(CCC(=O)OC(C)(C)C)cc(C)n6)n5)n4)n3)n2)n1
InChIInChI=1S/C64H80N6O10/c1-41-29-43(21-25-57(71)77-61(3,4)5)33-53(65-41)55-35-45(23-27-59(73)79-63(9,10)11)31-49(69-55)39-75-37-47-17-15-19-51(67-47)52-20-16-18-48(68-52)38-76-40-50-32-46(24-28-60(74)80-64(12,13)14)36-56(70-50)54-34-44(30-42(2)66-54)22-26-58(72)78-62(6,7)8/h15-20,29-36H,21-28,37-40H2,1-14H3
InChIKeyDLRMKJBHSLJKKX-UHFFFAOYSA-N
MW1093.38 g/mol
LogP12.21
Rot. Bonds23

About tert-butyl 3-[2-methyl-6-[6-[[6-[6-[[6-[6-methyl-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxymethyl]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]-4-pyridinyl]propanoate

tert-butyl 3-[2-methyl-6-[6-[[6-[6-[[6-[6-methyl-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxymethyl]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]-4-pyridinyl]propanoate (PubChem CID 15163216) has the molecular formula C64H80N6O10 and a molecular weight of 1093.38 g/mol. Its IUPAC name is tert-butyl 3-[2-methyl-6-[6-[[6-[6-[[6-[6-methyl-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxymethyl]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]-4-pyridinyl]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[2-methyl-6-[6-[[6-[6-[[6-[6-methyl-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxymethyl]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]-4-pyridinyl]propanoate
PubChem CID15163216
Molecular FormulaC64H80N6O10
Molecular Weight1093.38 g/mol
Exact Mass1092.59
IUPAC Nametert-butyl 3-[2-methyl-6-[6-[[6-[6-[[6-[6-methyl-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxymethyl]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]-4-pyridinyl]propanoate
SMILESCc1cc(CCC(=O)OC(C)(C)C)cc(-c2cc(CCC(=O)OC(C)(C)C)cc(COCc3cccc(-c4cccc(COCc5cc(CCC(=O)OC(C)(C)C)cc(-c6cc(CCC(=O)OC(C)(C)C)cc(C)n6)n5)n4)n3)n2)n1
InChIInChI=1S/C64H80N6O10/c1-41-29-43(21-25-57(71)77-61(3,4)5)33-53(65-41)55-35-45(23-27-59(73)79-63(9,10)11)31-49(69-55)39-75-37-47-17-15-19-51(67-47)52-20-16-18-48(68-52)38-76-40-50-32-46(24-28-60(74)80-64(12,13)14)36-56(70-50)54-34-44(30-42(2)66-54)22-26-58(72)78-62(6,7)8/h15-20,29-36H,21-28,37-40H2,1-14H3
InChIKeyDLRMKJBHSLJKKX-UHFFFAOYSA-N
XLogP12.21
TPSA201.00 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds23
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001093.38
LogP ≤ 512.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze tert-butyl 3-[2-methyl-6-[6-[[6-[6-[[6-[6-methyl-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxymethyl]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]-4-pyridinyl]propanoate with MolForge

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Launch Full Analysis

Related Compounds

[6-[6-[[6-(6-Methyl-2-pyridinyl)-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methyl 3-methyl-2-[2-methyl-6-[[6-[6-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxycarbonyl]phenyl]benzoate
CID 16158638
Ethoxyethane;tetrakis(1,7,10,23-tetramethyl-8,12,21,25,26,29-hexaoxa-30-azapentacyclo[21.2.2.27,10.12,6.014,19]triaconta-2(30),3,5,14,16,18-hexaene-13,20-dione)
CID 139039429
Dibenzyl 4-[4-[2,6-bis(phenylmethoxycarbonyl)-4-pyridinyl]phenyl]pyridine-2,6-dicarboxylate
CID 139147934
Methyl 6-[6-(6-methoxycarbonylpyridin-2-yl)-4-phenylpyridin-2-yl]pyridine-2-carboxylate
CID 985397
2,2'-Bipyridine, 6,6'-bis[[(6'-methyl[2,2'-bipyridin]-6-yl)methoxy]methyl]-
CID 603635
Tert-butyl 2-methyl-6-[6-[[6-[6-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methoxymethyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]pyridine-4-carboxylate
CID 15163190
Tert-butyl 2-[6-[[6-[6-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methoxymethyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]-6-methylpyridine-4-carboxylate
CID 15163192
Tert-butyl 2-methyl-6-[6-[[6-[6-[[6-[6-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methoxymethyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]methoxymethyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]pyridine-4-carboxylate
CID 15163193
2-[4-(diethylcarbamoyl)-6-[[4-(diethylcarbamoyl)-6-[4-(diethylcarbamoyl)-6-[[4-(diethylcarbamoyl)-6-[4-(diethylcarbamoyl)-6-methyl-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-N,N-diethyl-6-methylpyridine-4-carboxamide
CID 15163202
Tert-butyl 3-[2-[6-(acetyloxymethyl)-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]-6-methyl-4-pyridinyl]propanoate
CID 15163211
8,11,14,17,20,33,36,39,42,45-Decaoxa-51,52,53,54-tetrazapentacyclo[45.3.1.12,6.122,26.127,31]tetrapentaconta-1(50),2,4,6(54),22(53),23,25,27,29,31(52),47(51),48-dodecaene
CID 85601327
[6-[6-(Acetyloxymethyl)-4-phenyl-2-pyridinyl]-4-phenyl-2-pyridinyl]methyl acetate
CID 17977089

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-methyl-6-[6-[[6-[6-[[6-[6-methyl-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxymethyl]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]-4-pyridinyl]propanoate?
The IUPAC name of tert-butyl 3-[2-methyl-6-[6-[[6-[6-[[6-[6-methyl-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxymethyl]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]-4-pyridinyl]propanoate (CID 15163216) is tert-butyl 3-[2-methyl-6-[6-[[6-[6-[[6-[6-methyl-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxymethyl]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]-4-pyridinyl]propanoate.
What is the SMILES notation for tert-butyl 3-[2-methyl-6-[6-[[6-[6-[[6-[6-methyl-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxymethyl]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]-4-pyridinyl]propanoate?
The canonical SMILES for tert-butyl 3-[2-methyl-6-[6-[[6-[6-[[6-[6-methyl-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxymethyl]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]-4-pyridinyl]propanoate is Cc1cc(CCC(=O)OC(C)(C)C)cc(-c2cc(CCC(=O)OC(C)(C)C)cc(COCc3cccc(-c4cccc(COCc5cc(CCC(=O)OC(C)(C)C)cc(-c6cc(CCC(=O)OC(C)(C)C)cc(C)n6)n5)n4)n3)n2)n1.
What is the InChIKey of tert-butyl 3-[2-methyl-6-[6-[[6-[6-[[6-[6-methyl-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxymethyl]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]-4-pyridinyl]propanoate?
The InChIKey is DLRMKJBHSLJKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H80N6O10/c1-41-29-43(21-25-57(71)77-61(3,4)5)33-53(65-41)55-35-45(23-27-59(73)79-63(9,10)11)31-49(69-55)39-75-37-47-17-15-19-51(67-47)52-20-16-18-48(68-52)38-76-40-50-32-46(24-28-60(74)80-64(12,13)14)36-56(70-50)54-34-44(30-42(2)66-54)22-26-58(72)78-62(6,7)8/h15-20,29-36H,21-28,37-40H2,1-14H3.
What are the key properties of tert-butyl 3-[2-methyl-6-[6-[[6-[6-[[6-[6-methyl-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxymethyl]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]-4-pyridinyl]propanoate?
tert-butyl 3-[2-methyl-6-[6-[[6-[6-[[6-[6-methyl-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxymethyl]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]-4-pyridinyl]propanoate has a molecular weight of 1093.38 g/mol, XLogP of 12.21, 23 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-methyl-6-[6-[[6-[6-[[6-[6-methyl-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxymethyl]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]-4-pyridinyl]propanoate is sourced from PubChem (CID 15163216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).