N-[2-[[(4S)-4-[4-[2-(4-cyano-1H-indol-2-yl)phenoxy]-4-(trifluoromethyl)piperidine-1-carbonyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]oxy]ethyl]-4-[4-[[1-[4-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperazine-1-carbonyl]cyclohexane-1-carboxamide

C61H67F3N10O8 — CID 168752259

IUPACN-[2-[[(4S)-4-[4-[2-(4-cyano-1H-indol-2-yl)phenoxy]-4-(trifluoromethyl)piperidine-1-carbonyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]oxy]ethyl]-4-[4-[[1-[4-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperazine-1-carbonyl]cyclohexane-1-carboxamide
SMILESN#Cc1cccc2[nH]c(-c3ccccc3OC3(C(F)(F)F)CCN(C(=O)[C@H]4CC(=O)Nc5cc(OCCNC(=O)C6CCC(C(=O)N7CCN(CC8CCN(c9cc(C%10CCC(=O)NC%10=O)ccn9)CC8)CC7)CC6)ccc54)CC3)cc12
InChIInChI=1S/C61H67F3N10O8/c62-61(63,64)60(82-52-7-2-1-5-46(52)51-34-47-42(36-65)4-3-6-49(47)68-51)19-25-73(26-20-60)59(80)48-35-55(76)69-50-33-43(12-13-45(48)50)81-31-22-67-56(77)39-8-10-40(11-9-39)58(79)74-29-27-71(28-30-74)37-38-17-23-72(24-18-38)53-32-41(16-21-66-53)44-14-15-54(75)70-57(44)78/h1-7,12-13,16,21,32-34,38-40,44,48,68H,8-11,14-15,17-20,22-31,35,37H2,(H,67,77)(H,69,76)(H,70,75,78)/t39?,40?,44?,48-/m0/s1
InChIKeyNPOVPKPIMHCLQX-BEHPOMCXSA-N
MW1125.26 g/mol
LogP7.41
Rot. Bonds14

About N-[2-[[(4S)-4-[4-[2-(4-cyano-1H-indol-2-yl)phenoxy]-4-(trifluoromethyl)piperidine-1-carbonyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]oxy]ethyl]-4-[4-[[1-[4-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperazine-1-carbonyl]cyclohexane-1-carboxamide

N-[2-[[(4S)-4-[4-[2-(4-cyano-1H-indol-2-yl)phenoxy]-4-(trifluoromethyl)piperidine-1-carbonyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]oxy]ethyl]-4-[4-[[1-[4-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperazine-1-carbonyl]cyclohexane-1-carboxamide (PubChem CID 168752259) has the molecular formula C61H67F3N10O8 and a molecular weight of 1125.26 g/mol. Its IUPAC name is N-[2-[[(4S)-4-[4-[2-(4-cyano-1H-indol-2-yl)phenoxy]-4-(trifluoromethyl)piperidine-1-carbonyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]oxy]ethyl]-4-[4-[[1-[4-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperazine-1-carbonyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[[(4S)-4-[4-[2-(4-cyano-1H-indol-2-yl)phenoxy]-4-(trifluoromethyl)piperidine-1-carbonyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]oxy]ethyl]-4-[4-[[1-[4-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperazine-1-carbonyl]cyclohexane-1-carboxamide
PubChem CID168752259
Molecular FormulaC61H67F3N10O8
Molecular Weight1125.26 g/mol
Exact Mass1124.51
IUPAC NameN-[2-[[(4S)-4-[4-[2-(4-cyano-1H-indol-2-yl)phenoxy]-4-(trifluoromethyl)piperidine-1-carbonyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]oxy]ethyl]-4-[4-[[1-[4-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperazine-1-carbonyl]cyclohexane-1-carboxamide
SMILESN#Cc1cccc2[nH]c(-c3ccccc3OC3(C(F)(F)F)CCN(C(=O)[C@H]4CC(=O)Nc5cc(OCCNC(=O)C6CCC(C(=O)N7CCN(CC8CCN(c9cc(C%10CCC(=O)NC%10=O)ccn9)CC8)CC7)CC6)ccc54)CC3)cc12
InChIInChI=1S/C61H67F3N10O8/c62-61(63,64)60(82-52-7-2-1-5-46(52)51-34-47-42(36-65)4-3-6-49(47)68-51)19-25-73(26-20-60)59(80)48-35-55(76)69-50-33-43(12-13-45(48)50)81-31-22-67-56(77)39-8-10-40(11-9-39)58(79)74-29-27-71(28-30-74)37-38-17-23-72(24-18-38)53-32-41(16-21-66-53)44-14-15-54(75)70-57(44)78/h1-7,12-13,16,21,32-34,38-40,44,48,68H,8-11,14-15,17-20,22-31,35,37H2,(H,67,77)(H,69,76)(H,70,75,78)/t39?,40?,44?,48-/m0/s1
InChIKeyNPOVPKPIMHCLQX-BEHPOMCXSA-N
XLogP7.41
TPSA222.40 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001125.26
LogP ≤ 57.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze N-[2-[[(4S)-4-[4-[2-(4-cyano-1H-indol-2-yl)phenoxy]-4-(trifluoromethyl)piperidine-1-carbonyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]oxy]ethyl]-4-[4-[[1-[4-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperazine-1-carbonyl]cyclohexane-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[2-[[(4S)-4-[4-[2-(4-cyano-1H-indol-2-yl)phenoxy]-4-(trifluoromethyl)piperidine-1-carbonyl]-2-oxo-3,4-dihydro-1H-quinolin-6-yl]oxy]ethyl]-4-[4-[[1-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]methyl]piperazine-1-carbonyl]cyclohexane-1-carboxamide
CID 166112708
N-[2-[[(4S)-4-[4-[2-(4-cyano-1H-indol-2-yl)phenoxy]-4-(trifluoromethyl)piperidine-1-carbonyl]-2-oxo-3,4-dihydro-1H-quinolin-6-yl]oxy]ethyl]-1-[[1-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]methyl]piperidine-4-carboxamide;ethane
CID 166112809
acetaldehyde;N-[2-[[4-[4-[2-(4-cyano-1H-indol-2-yl)phenoxy]-4-(trifluoromethyl)piperidine-1-carbonyl]-2-oxo-3,4-dihydro-1H-quinolin-6-yl]oxy]ethyl]-1-[4-[[(3E,5E)-6,7-dimethyl-8-(methylamino)-8-oxoocta-3,5-dien-3-yl]-methylamino]-2-methylbutyl]piperidine-4-carboxamide;ethane
CID 166112601
4-[2-(7-chloro-1,3-benzothiazol-2-yl)phenoxy]-1-[(4S)-6-[2-[[4-[4-[[1-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]methyl]piperazine-1-carbonyl]cyclohexanecarbonyl]amino]ethoxy]-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]-N-methylpiperidine-4-carboxamide
CID 168752429
1-[[1-[4-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperidin-4-yl]methyl]-N-[2-[4-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]phenoxy]ethyl]piperidine-4-carboxamide
CID 168752329
N-[2-[[5-chloro-3-[[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]carbamoylamino]-2-pyridinyl]oxy]ethyl]-4-[4-[[1-[4-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperazine-1-carbonyl]cyclohexane-1-carboxamide
CID 168752441
1-[4-cyano-3-(trifluoromethyl)phenyl]-N-[5-[4-[[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]piperazin-1-yl]methyl]piperidin-1-yl]-2-pyridinyl]piperidine-4-carboxamide
CID 162681899
3-[2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-4-pyridinyl]piperidine-2,6-dione
CID 166113557
N-[1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-1-[[1-[4-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperidine-4-carboxamide
CID 168752340
1-[4-cyano-3-(trifluoromethyl)phenyl]-N-[6-[4-[[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-2-yl]methyl]piperidin-1-yl]-3-pyridinyl]piperidine-4-carboxamide
CID 162681816
1-[4-cyano-3-(trifluoromethyl)phenyl]-N-[5-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methoxy]-2-pyridinyl]piperidine-4-carboxamide
CID 162681866
1-[4-cyano-3-(trifluoromethyl)phenyl]-N-[5-[4-[[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperazin-1-yl]methyl]piperidin-1-yl]-2-pyridinyl]piperidine-4-carboxamide
CID 162681639

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(4S)-4-[4-[2-(4-cyano-1H-indol-2-yl)phenoxy]-4-(trifluoromethyl)piperidine-1-carbonyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]oxy]ethyl]-4-[4-[[1-[4-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperazine-1-carbonyl]cyclohexane-1-carboxamide?
The IUPAC name of N-[2-[[(4S)-4-[4-[2-(4-cyano-1H-indol-2-yl)phenoxy]-4-(trifluoromethyl)piperidine-1-carbonyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]oxy]ethyl]-4-[4-[[1-[4-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperazine-1-carbonyl]cyclohexane-1-carboxamide (CID 168752259) is N-[2-[[(4S)-4-[4-[2-(4-cyano-1H-indol-2-yl)phenoxy]-4-(trifluoromethyl)piperidine-1-carbonyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]oxy]ethyl]-4-[4-[[1-[4-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperazine-1-carbonyl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-[[(4S)-4-[4-[2-(4-cyano-1H-indol-2-yl)phenoxy]-4-(trifluoromethyl)piperidine-1-carbonyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]oxy]ethyl]-4-[4-[[1-[4-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperazine-1-carbonyl]cyclohexane-1-carboxamide?
The canonical SMILES for N-[2-[[(4S)-4-[4-[2-(4-cyano-1H-indol-2-yl)phenoxy]-4-(trifluoromethyl)piperidine-1-carbonyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]oxy]ethyl]-4-[4-[[1-[4-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperazine-1-carbonyl]cyclohexane-1-carboxamide is N#Cc1cccc2[nH]c(-c3ccccc3OC3(C(F)(F)F)CCN(C(=O)[C@H]4CC(=O)Nc5cc(OCCNC(=O)C6CCC(C(=O)N7CCN(CC8CCN(c9cc(C%10CCC(=O)NC%10=O)ccn9)CC8)CC7)CC6)ccc54)CC3)cc12.
What is the InChIKey of N-[2-[[(4S)-4-[4-[2-(4-cyano-1H-indol-2-yl)phenoxy]-4-(trifluoromethyl)piperidine-1-carbonyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]oxy]ethyl]-4-[4-[[1-[4-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperazine-1-carbonyl]cyclohexane-1-carboxamide?
The InChIKey is NPOVPKPIMHCLQX-BEHPOMCXSA-N. The full InChI is InChI=1S/C61H67F3N10O8/c62-61(63,64)60(82-52-7-2-1-5-46(52)51-34-47-42(36-65)4-3-6-49(47)68-51)19-25-73(26-20-60)59(80)48-35-55(76)69-50-33-43(12-13-45(48)50)81-31-22-67-56(77)39-8-10-40(11-9-39)58(79)74-29-27-71(28-30-74)37-38-17-23-72(24-18-38)53-32-41(16-21-66-53)44-14-15-54(75)70-57(44)78/h1-7,12-13,16,21,32-34,38-40,44,48,68H,8-11,14-15,17-20,22-31,35,37H2,(H,67,77)(H,69,76)(H,70,75,78)/t39?,40?,44?,48-/m0/s1.
What are the key properties of N-[2-[[(4S)-4-[4-[2-(4-cyano-1H-indol-2-yl)phenoxy]-4-(trifluoromethyl)piperidine-1-carbonyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]oxy]ethyl]-4-[4-[[1-[4-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperazine-1-carbonyl]cyclohexane-1-carboxamide?
N-[2-[[(4S)-4-[4-[2-(4-cyano-1H-indol-2-yl)phenoxy]-4-(trifluoromethyl)piperidine-1-carbonyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]oxy]ethyl]-4-[4-[[1-[4-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperazine-1-carbonyl]cyclohexane-1-carboxamide has a molecular weight of 1125.26 g/mol, XLogP of 7.41, 14 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(4S)-4-[4-[2-(4-cyano-1H-indol-2-yl)phenoxy]-4-(trifluoromethyl)piperidine-1-carbonyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]oxy]ethyl]-4-[4-[[1-[4-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperazine-1-carbonyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 168752259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).