furan-2-yl-[4-[[5-[3-[3-[2-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-5-phenyl-1H-imidazol-4-yl]phenyl]phenyl]-4-[3-[3-[2-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]-4-phenyl-1,3-oxazol-5-yl]phenyl]phenyl]-1,3-oxazol-2-yl]methyl]piperazin-1-yl]methanone

C82H72F3N9O5 — CID 126495143

IUPACfuran-2-yl-[4-[[5-[3-[3-[2-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-5-phenyl-1H-imidazol-4-yl]phenyl]phenyl]-4-[3-[3-[2-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]-4-phenyl-1,3-oxazol-5-yl]phenyl]phenyl]-1,3-oxazol-2-yl]methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(Cc2nc(-c3cccc(-c4cccc(-c5oc(CN6CCC(c7c[nH]c8ccccc78)CC6)nc5-c5ccccc5)c4)c3)c(-c3cccc(-c4cccc(-c5nc(CN6CCC(O)(c7cccc(C(F)(F)F)c7)CC6)[nH]c5-c5ccccc5)c4)c3)o2)CC1
InChIInChI=1S/C82H72F3N9O5/c83-82(84,85)66-28-13-27-65(49-66)81(96)34-38-92(39-35-81)51-71-87-74(55-15-3-1-4-16-55)75(88-71)61-23-9-19-57(45-61)59-21-12-26-64(48-59)79-77(90-73(99-79)53-93-40-42-94(43-41-93)80(95)70-31-14-44-97-70)62-24-10-20-58(46-62)60-22-11-25-63(47-60)78-76(56-17-5-2-6-18-56)89-72(98-78)52-91-36-32-54(33-37-91)68-50-86-69-30-8-7-29-67(68)69/h1-31,44-50,54,86,96H,32-43,51-53H2,(H,87,88)
InChIKeyHJIPWRIULWZJND-UHFFFAOYSA-N
MW1320.53 g/mol
LogP17.64
Rot. Bonds17

About furan-2-yl-[4-[[5-[3-[3-[2-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-5-phenyl-1H-imidazol-4-yl]phenyl]phenyl]-4-[3-[3-[2-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]-4-phenyl-1,3-oxazol-5-yl]phenyl]phenyl]-1,3-oxazol-2-yl]methyl]piperazin-1-yl]methanone

furan-2-yl-[4-[[5-[3-[3-[2-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-5-phenyl-1H-imidazol-4-yl]phenyl]phenyl]-4-[3-[3-[2-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]-4-phenyl-1,3-oxazol-5-yl]phenyl]phenyl]-1,3-oxazol-2-yl]methyl]piperazin-1-yl]methanone (PubChem CID 126495143) has the molecular formula C82H72F3N9O5 and a molecular weight of 1320.53 g/mol. Its IUPAC name is furan-2-yl-[4-[[5-[3-[3-[2-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-5-phenyl-1H-imidazol-4-yl]phenyl]phenyl]-4-[3-[3-[2-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]-4-phenyl-1,3-oxazol-5-yl]phenyl]phenyl]-1,3-oxazol-2-yl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[[5-[3-[3-[2-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-5-phenyl-1H-imidazol-4-yl]phenyl]phenyl]-4-[3-[3-[2-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]-4-phenyl-1,3-oxazol-5-yl]phenyl]phenyl]-1,3-oxazol-2-yl]methyl]piperazin-1-yl]methanone
PubChem CID126495143
Molecular FormulaC82H72F3N9O5
Molecular Weight1320.53 g/mol
Exact Mass1319.56
IUPAC Namefuran-2-yl-[4-[[5-[3-[3-[2-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-5-phenyl-1H-imidazol-4-yl]phenyl]phenyl]-4-[3-[3-[2-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]-4-phenyl-1,3-oxazol-5-yl]phenyl]phenyl]-1,3-oxazol-2-yl]methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(Cc2nc(-c3cccc(-c4cccc(-c5oc(CN6CCC(c7c[nH]c8ccccc78)CC6)nc5-c5ccccc5)c4)c3)c(-c3cccc(-c4cccc(-c5nc(CN6CCC(O)(c7cccc(C(F)(F)F)c7)CC6)[nH]c5-c5ccccc5)c4)c3)o2)CC1
InChIInChI=1S/C82H72F3N9O5/c83-82(84,85)66-28-13-27-65(49-66)81(96)34-38-92(39-35-81)51-71-87-74(55-15-3-1-4-16-55)75(88-71)61-23-9-19-57(45-61)59-21-12-26-64(48-59)79-77(90-73(99-79)53-93-40-42-94(43-41-93)80(95)70-31-14-44-97-70)62-24-10-20-58(46-62)60-22-11-25-63(47-60)78-76(56-17-5-2-6-18-56)89-72(98-78)52-91-36-32-54(33-37-91)68-50-86-69-30-8-7-29-67(68)69/h1-31,44-50,54,86,96H,32-43,51-53H2,(H,87,88)
InChIKeyHJIPWRIULWZJND-UHFFFAOYSA-N
XLogP17.64
TPSA159.93 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds17
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001320.53
LogP ≤ 517.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze furan-2-yl-[4-[[5-[3-[3-[2-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-5-phenyl-1H-imidazol-4-yl]phenyl]phenyl]-4-[3-[3-[2-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]-4-phenyl-1,3-oxazol-5-yl]phenyl]phenyl]-1,3-oxazol-2-yl]methyl]piperazin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

5-[3-fluoro-5-[3-fluoro-5-[5-(3-fluorophenyl)-2-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]-1H-imidazol-4-yl]phenyl]phenyl]-4-(3-fluorophenyl)-N-(1H-indol-3-ylmethyl)-1,3-oxazole-2-carboxamide
CID 126494873
5-[3-fluoro-5-[3-[2-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]-5-phenyl-1H-imidazol-4-yl]phenyl]phenyl]-4-(3-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-oxazole-2-carboxamide
CID 126494875
furan-2-yl-[4-[[4-[3-[3-[2-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-5-phenyl-1,3-oxazol-4-yl]phenyl]phenyl]-5-phenyl-1H-imidazol-2-yl]methyl]piperazin-1-yl]methanone
CID 126495144
3-methoxy-N-methyl-4-[[4-propan-2-yloxy-5-[4-(1H-pyrrol-2-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N-methyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-(2,2,2-trifluoroethyl)benzamide;N-methyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-(trifluoromethyl)benzamide
CID 157850428
12-[(4,4-difluoropiperidin-1-yl)methyl]-4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[(4-fluoropiperidin-1-yl)methyl]-4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6,12-dimorpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-11-methyl-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 158180516
4-chloro-N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-1H-benzimidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methylfuran-2-carboxamide;tris(N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide);methane;tetrakis(2,2,2-trifluoroacetaldehyde);dihydrochloride
CID 158603991
acetic acid;azane;3-(2-but-3-enyl-1H-imidazol-5-yl)-2-methoxyquinoline;2-[[2-but-3-enyl-4-(2-methoxyquinolin-3-yl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;methane;7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one;[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] pent-4-enoate;7-[4-(2-methoxyquinolin-3-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one;7-[4-(2-methoxyquinolin-3-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1-(1,3-oxazol-2-yl)hept-4-en-1-one;1-(1,3-oxazol-2-yl)pent-4-en-1-one;pent-4-enoic acid;2,2,2-trifluoroacetaldehyde
CID 158741207
12-[(4,4-difluoropiperidin-1-yl)methyl]-4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[(4-fluoropiperidin-1-yl)methyl]-4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-12-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-11-methyl-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 158885713
1-benzyl-4-[5-[2-oxo-2-[2-phenyl-5-(trifluoromethyl)-1H-imidazol-4-yl]ethyl]-2-pyridinyl]piperazin-2-one;methane;2-[6-(4-methyl-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-(4-methyl-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone;1-[1-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]-3H-indol-2-one
CID 159784508
4-[[1-(1H-benzimidazol-2-ylmethyl)benzimidazol-2-yl]methyl]morpholine;[4-[[1-(1H-benzimidazol-2-ylmethyl)benzimidazol-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone;1-(1H-benzimidazol-2-ylmethyl)-2-(2,5-dihydropyrrol-1-ylmethyl)benzimidazole;1-(1H-benzimidazol-2-ylmethyl)-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]benzimidazole;methyl 3-(1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylate
CID 160351649
4-[[5-(4-acetamido-3-hydroxyphenyl)-4-cyclopentyloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;[4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-(4,4-difluoropiperidin-1-yl)methanone;4-[2-[2-methoxy-4-(methylcarbamoyl)anilino]-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-methylpyridine-2-carboxamide
CID 160579990
6-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-[1-(2-methylpropyl)indol-5-yl]pyrimidine-4-carboxamide;1-[6-(3-methoxy-1H-indol-5-yl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]ethanone;2-[1-(4-methylphenyl)benzimidazol-5-yl]-6-[(2-oxopyrrolidin-3-yl)amino]pyrimidine-4-carboxamide;2-[3-(4-methylphenyl)benzimidazol-5-yl]-6-[(2-oxopyrrolidin-3-yl)amino]pyrimidine-4-carboxamide;6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carbaldehyde
CID 160728328

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[[5-[3-[3-[2-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-5-phenyl-1H-imidazol-4-yl]phenyl]phenyl]-4-[3-[3-[2-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]-4-phenyl-1,3-oxazol-5-yl]phenyl]phenyl]-1,3-oxazol-2-yl]methyl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[[5-[3-[3-[2-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-5-phenyl-1H-imidazol-4-yl]phenyl]phenyl]-4-[3-[3-[2-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]-4-phenyl-1,3-oxazol-5-yl]phenyl]phenyl]-1,3-oxazol-2-yl]methyl]piperazin-1-yl]methanone (CID 126495143) is furan-2-yl-[4-[[5-[3-[3-[2-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-5-phenyl-1H-imidazol-4-yl]phenyl]phenyl]-4-[3-[3-[2-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]-4-phenyl-1,3-oxazol-5-yl]phenyl]phenyl]-1,3-oxazol-2-yl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[[5-[3-[3-[2-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-5-phenyl-1H-imidazol-4-yl]phenyl]phenyl]-4-[3-[3-[2-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]-4-phenyl-1,3-oxazol-5-yl]phenyl]phenyl]-1,3-oxazol-2-yl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[[5-[3-[3-[2-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-5-phenyl-1H-imidazol-4-yl]phenyl]phenyl]-4-[3-[3-[2-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]-4-phenyl-1,3-oxazol-5-yl]phenyl]phenyl]-1,3-oxazol-2-yl]methyl]piperazin-1-yl]methanone is O=C(c1ccco1)N1CCN(Cc2nc(-c3cccc(-c4cccc(-c5oc(CN6CCC(c7c[nH]c8ccccc78)CC6)nc5-c5ccccc5)c4)c3)c(-c3cccc(-c4cccc(-c5nc(CN6CCC(O)(c7cccc(C(F)(F)F)c7)CC6)[nH]c5-c5ccccc5)c4)c3)o2)CC1.
What is the InChIKey of furan-2-yl-[4-[[5-[3-[3-[2-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-5-phenyl-1H-imidazol-4-yl]phenyl]phenyl]-4-[3-[3-[2-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]-4-phenyl-1,3-oxazol-5-yl]phenyl]phenyl]-1,3-oxazol-2-yl]methyl]piperazin-1-yl]methanone?
The InChIKey is HJIPWRIULWZJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H72F3N9O5/c83-82(84,85)66-28-13-27-65(49-66)81(96)34-38-92(39-35-81)51-71-87-74(55-15-3-1-4-16-55)75(88-71)61-23-9-19-57(45-61)59-21-12-26-64(48-59)79-77(90-73(99-79)53-93-40-42-94(43-41-93)80(95)70-31-14-44-97-70)62-24-10-20-58(46-62)60-22-11-25-63(47-60)78-76(56-17-5-2-6-18-56)89-72(98-78)52-91-36-32-54(33-37-91)68-50-86-69-30-8-7-29-67(68)69/h1-31,44-50,54,86,96H,32-43,51-53H2,(H,87,88).
What are the key properties of furan-2-yl-[4-[[5-[3-[3-[2-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-5-phenyl-1H-imidazol-4-yl]phenyl]phenyl]-4-[3-[3-[2-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]-4-phenyl-1,3-oxazol-5-yl]phenyl]phenyl]-1,3-oxazol-2-yl]methyl]piperazin-1-yl]methanone?
furan-2-yl-[4-[[5-[3-[3-[2-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-5-phenyl-1H-imidazol-4-yl]phenyl]phenyl]-4-[3-[3-[2-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]-4-phenyl-1,3-oxazol-5-yl]phenyl]phenyl]-1,3-oxazol-2-yl]methyl]piperazin-1-yl]methanone has a molecular weight of 1320.53 g/mol, XLogP of 17.64, 17 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[[5-[3-[3-[2-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-5-phenyl-1H-imidazol-4-yl]phenyl]phenyl]-4-[3-[3-[2-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]-4-phenyl-1,3-oxazol-5-yl]phenyl]phenyl]-1,3-oxazol-2-yl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 126495143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).