ethyl 1-methyl-4-[2-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]imidazole-2-carboxylate;1-[1-methyl-2-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]imidazol-4-yl]-3-[4-(trifluoromethoxy)phenyl]propan-2-one;1-(5-methyl-2-pyridinyl)piperazine

C52H58F6N10O7 — CID 123468108

IUPACethyl 1-methyl-4-[2-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]imidazole-2-carboxylate;1-[1-methyl-2-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]imidazol-4-yl]-3-[4-(trifluoromethoxy)phenyl]propan-2-one;1-(5-methyl-2-pyridinyl)piperazine
SMILESCCOC(=O)c1nc(CC(=O)Cc2ccc(OC(F)(F)F)cc2)cn1C.Cc1ccc(N2CCN(C(=O)c3nc(CC(=O)Cc4ccc(OC(F)(F)F)cc4)cn3C)CC2)nc1.Cc1ccc(N2CCNCC2)nc1
InChIInChI=1S/C25H26F3N5O3.C17H17F3N2O4.C10H15N3/c1-17-3-8-22(29-15-17)32-9-11-33(12-10-32)24(35)23-30-19(16-31(23)2)14-20(34)13-18-4-6-21(7-5-18)36-25(26,27)28;1-3-25-16(24)15-21-12(10-22(15)2)9-13(23)8-11-4-6-14(7-5-11)26-17(18,19)20;1-9-2-3-10(12-8-9)13-6-4-11-5-7-13/h3-8,15-16H,9-14H2,1-2H3;4-7,10H,3,8-9H2,1-2H3;2-3,8,11H,4-7H2,1H3
InChIKeyHGQKCJRIGBUJMG-UHFFFAOYSA-N
MW1049.09 g/mol
LogP6.99
Rot. Bonds15

About ethyl 1-methyl-4-[2-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]imidazole-2-carboxylate;1-[1-methyl-2-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]imidazol-4-yl]-3-[4-(trifluoromethoxy)phenyl]propan-2-one;1-(5-methyl-2-pyridinyl)piperazine

ethyl 1-methyl-4-[2-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]imidazole-2-carboxylate;1-[1-methyl-2-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]imidazol-4-yl]-3-[4-(trifluoromethoxy)phenyl]propan-2-one;1-(5-methyl-2-pyridinyl)piperazine (PubChem CID 123468108) has the molecular formula C52H58F6N10O7 and a molecular weight of 1049.09 g/mol. Its IUPAC name is ethyl 1-methyl-4-[2-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]imidazole-2-carboxylate;1-[1-methyl-2-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]imidazol-4-yl]-3-[4-(trifluoromethoxy)phenyl]propan-2-one;1-(5-methyl-2-pyridinyl)piperazine.

Molecular Properties

Compound Nameethyl 1-methyl-4-[2-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]imidazole-2-carboxylate;1-[1-methyl-2-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]imidazol-4-yl]-3-[4-(trifluoromethoxy)phenyl]propan-2-one;1-(5-methyl-2-pyridinyl)piperazine
PubChem CID123468108
Molecular FormulaC52H58F6N10O7
Molecular Weight1049.09 g/mol
Exact Mass1048.44
IUPAC Nameethyl 1-methyl-4-[2-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]imidazole-2-carboxylate;1-[1-methyl-2-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]imidazol-4-yl]-3-[4-(trifluoromethoxy)phenyl]propan-2-one;1-(5-methyl-2-pyridinyl)piperazine
SMILESCCOC(=O)c1nc(CC(=O)Cc2ccc(OC(F)(F)F)cc2)cn1C.Cc1ccc(N2CCN(C(=O)c3nc(CC(=O)Cc4ccc(OC(F)(F)F)cc4)cn3C)CC2)nc1.Cc1ccc(N2CCNCC2)nc1
InChIInChI=1S/C25H26F3N5O3.C17H17F3N2O4.C10H15N3/c1-17-3-8-22(29-15-17)32-9-11-33(12-10-32)24(35)23-30-19(16-31(23)2)14-20(34)13-18-4-6-21(7-5-18)36-25(26,27)28;1-3-25-16(24)15-21-12(10-22(15)2)9-13(23)8-11-4-6-14(7-5-11)26-17(18,19)20;1-9-2-3-10(12-8-9)13-6-4-11-5-7-13/h3-8,15-16H,9-14H2,1-2H3;4-7,10H,3,8-9H2,1-2H3;2-3,8,11H,4-7H2,1H3
InChIKeyHGQKCJRIGBUJMG-UHFFFAOYSA-N
XLogP6.99
TPSA179.14 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds15
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001049.09
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Analyze ethyl 1-methyl-4-[2-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]imidazole-2-carboxylate;1-[1-methyl-2-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]imidazol-4-yl]-3-[4-(trifluoromethoxy)phenyl]propan-2-one;1-(5-methyl-2-pyridinyl)piperazine with MolForge

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Related Compounds

1-[2-imidazol-1-yl-6-(trifluoromethyl)pyrimidin-4-yl]-4-[2-(4-methoxyphenyl)acetyl]-N-(pyridin-3-ylmethyl)piperazine-2-carboxamide
CID 22487513
N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpyrido[2,3-d]pyrimidin-6-yl]-3-[4-(trifluoromethoxy)phenyl]propanamide;N-[4-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrido[2,3-d]pyrimidin-6-yl]-3-[4-(trifluoromethoxy)phenyl]propanamide
CID 87952873
N-[2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-methylpteridin-6-yl]-3-[4-(trifluoromethoxy)phenyl]propanamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methylpteridin-6-yl]-3-[4-(trifluoromethoxy)phenyl]propanamide
CID 88026636
methyl (2R)-2-cyclohexyl-2-[3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanoylamino]acetate
CID 122445578
methyl (2R)-3-phenyl-2-[3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanoylamino]propanoate
CID 122445672
Methyl 3-phenyl-2-[3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanoylamino]propanoate
CID 122445675
1-[1-Methyl-2-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]imidazol-4-yl]-3-[4-(trifluoromethoxy)phenyl]propan-2-one
CID 123468110
Tert-butyl 4-fluoro-2-[[2-[1-[[3-fluoro-5-[[5-methoxy-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methylcarbamoyl]pyrrolidin-2-yl]methyl]-2-(trifluoromethyl)pyrimidin-1-ium-5-yl]-5-methoxy-4-pyridinyl]methylcarbamoyl]pyrrolidine-1-carboxylate
CID 123863075
(2S,3R)-3-[(2-aminopyridin-4-yl)methyl]-2-N-[5-[(3R)-3-[[(2S,3R)-3-[(2-aminopyridin-4-yl)methyl]-2-[methyl-(1-methylimidazol-2-yl)carbamoyl]-4-oxoazetidine-1-carbonyl]amino]-3-[4-(trifluoromethoxy)phenyl]propyl]-1-methylimidazol-2-yl]-1-N-[1-(4-fluorophenyl)propyl]-2-N-methyl-4-oxoazetidine-1,2-dicarboxamide
CID 139403222
3-[3-[[4-(1,1-difluoroethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanal;1,2-difluoro-2-methylpropane;formic acid;(4Z)-2-[3-(1H-imidazo[4,5-b]pyridin-2-yl)propanoylamino]-4-[(Z)-prop-1-enyl]hepta-4,6-dienoic acid;N-methyl-2-phenylethanamine
CID 145133041
6-(difluoromethyl)-4-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-[(2-oxo-1-pyridinyl)methyl]imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
CID 155010166
[4-[(2S)-2-[[2-(diethylamino)-5-(propan-2-ylamino)pyrimidin-4-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] pyrrolidine-1-carboxylate;[4-[(2S)-2-[[2-(diethylamino)-5-[propan-2-yl-(2,2,2-trifluoroacetyl)amino]pyrimidin-4-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] pyrrolidine-1-carboxylate
CID 157265219

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-4-[2-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]imidazole-2-carboxylate;1-[1-methyl-2-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]imidazol-4-yl]-3-[4-(trifluoromethoxy)phenyl]propan-2-one;1-(5-methyl-2-pyridinyl)piperazine?
The IUPAC name of ethyl 1-methyl-4-[2-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]imidazole-2-carboxylate;1-[1-methyl-2-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]imidazol-4-yl]-3-[4-(trifluoromethoxy)phenyl]propan-2-one;1-(5-methyl-2-pyridinyl)piperazine (CID 123468108) is ethyl 1-methyl-4-[2-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]imidazole-2-carboxylate;1-[1-methyl-2-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]imidazol-4-yl]-3-[4-(trifluoromethoxy)phenyl]propan-2-one;1-(5-methyl-2-pyridinyl)piperazine.
What is the SMILES notation for ethyl 1-methyl-4-[2-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]imidazole-2-carboxylate;1-[1-methyl-2-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]imidazol-4-yl]-3-[4-(trifluoromethoxy)phenyl]propan-2-one;1-(5-methyl-2-pyridinyl)piperazine?
The canonical SMILES for ethyl 1-methyl-4-[2-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]imidazole-2-carboxylate;1-[1-methyl-2-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]imidazol-4-yl]-3-[4-(trifluoromethoxy)phenyl]propan-2-one;1-(5-methyl-2-pyridinyl)piperazine is CCOC(=O)c1nc(CC(=O)Cc2ccc(OC(F)(F)F)cc2)cn1C.Cc1ccc(N2CCN(C(=O)c3nc(CC(=O)Cc4ccc(OC(F)(F)F)cc4)cn3C)CC2)nc1.Cc1ccc(N2CCNCC2)nc1.
What is the InChIKey of ethyl 1-methyl-4-[2-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]imidazole-2-carboxylate;1-[1-methyl-2-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]imidazol-4-yl]-3-[4-(trifluoromethoxy)phenyl]propan-2-one;1-(5-methyl-2-pyridinyl)piperazine?
The InChIKey is HGQKCJRIGBUJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N5O3.C17H17F3N2O4.C10H15N3/c1-17-3-8-22(29-15-17)32-9-11-33(12-10-32)24(35)23-30-19(16-31(23)2)14-20(34)13-18-4-6-21(7-5-18)36-25(26,27)28;1-3-25-16(24)15-21-12(10-22(15)2)9-13(23)8-11-4-6-14(7-5-11)26-17(18,19)20;1-9-2-3-10(12-8-9)13-6-4-11-5-7-13/h3-8,15-16H,9-14H2,1-2H3;4-7,10H,3,8-9H2,1-2H3;2-3,8,11H,4-7H2,1H3.
What are the key properties of ethyl 1-methyl-4-[2-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]imidazole-2-carboxylate;1-[1-methyl-2-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]imidazol-4-yl]-3-[4-(trifluoromethoxy)phenyl]propan-2-one;1-(5-methyl-2-pyridinyl)piperazine?
ethyl 1-methyl-4-[2-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]imidazole-2-carboxylate;1-[1-methyl-2-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]imidazol-4-yl]-3-[4-(trifluoromethoxy)phenyl]propan-2-one;1-(5-methyl-2-pyridinyl)piperazine has a molecular weight of 1049.09 g/mol, XLogP of 6.99, 15 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-4-[2-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]imidazole-2-carboxylate;1-[1-methyl-2-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]imidazol-4-yl]-3-[4-(trifluoromethoxy)phenyl]propan-2-one;1-(5-methyl-2-pyridinyl)piperazine is sourced from PubChem (CID 123468108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).