N-[1-[4-(1-acetamidopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-[1-(carbamoylamino)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-[1-(methanesulfonamido)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-[1-(methylcarbamoylamino)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;3-[6-(trifluoromethyl)quinazolin-4-yl]-N-[1-[4-[1-(trifluoromethylsulfonylamino)propyl]cyclohexyl]azetidin-3-yl]propanamide

C127H167F18N27O12S2 — CID 162002314

IUPACN-[1-[4-(1-acetamidopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-[1-(carbamoylamino)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-[1-(methanesulfonamido)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-[1-(methylcarbamoylamino)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;3-[6-(trifluoromethyl)quinazolin-4-yl]-N-[1-[4-[1-(trifluoromethylsulfonylamino)propyl]cyclohexyl]azetidin-3-yl]propanamide
SMILESCCC(NC(=O)NC)C1CCC(N2CC(NC(=O)CCc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.CCC(NC(C)=O)C1CCC(N2CC(NC(=O)CCc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.CCC(NC(N)=O)C1CCC(N2CC(NC(=O)CCc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.CCC(NS(=O)(=O)C(F)(F)F)C1CCC(N2CC(NC(=O)CCc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.CCC(NS(C)(=O)=O)C1CCC(N2CC(NC(=O)CCc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1
InChIInChI=1S/C26H35F3N6O2.C26H34F3N5O2.C25H31F6N5O3S.C25H33F3N6O2.C25H34F3N5O3S/c1-3-21(34-25(37)30-2)16-4-7-19(8-5-16)35-13-18(14-35)33-24(36)11-10-23-20-12-17(26(27,28)29)6-9-22(20)31-15-32-23;1-3-22(32-16(2)35)17-4-7-20(8-5-17)34-13-19(14-34)33-25(36)11-10-24-21-12-18(26(27,28)29)6-9-23(21)30-15-31-24;1-2-20(35-40(38,39)25(29,30)31)15-3-6-18(7-4-15)36-12-17(13-36)34-23(37)10-9-22-19-11-16(24(26,27)28)5-8-21(19)32-14-33-22;1-2-20(33-24(29)36)15-3-6-18(7-4-15)34-12-17(13-34)32-23(35)10-9-22-19-11-16(25(26,27)28)5-8-21(19)30-14-31-22;1-3-21(32-37(2,35)36)16-4-7-19(8-5-16)33-13-18(14-33)31-24(34)11-10-23-20-12-17(25(26,27)28)6-9-22(20)29-15-30-23/h6,9,12,15-16,18-19,21H,3-5,7-8,10-11,13-14H2,1-2H3,(H,33,36)(H2,30,34,37);6,9,12,15,17,19-20,22H,3-5,7-8,10-11,13-14H2,1-2H3,(H,32,35)(H,33,36);5,8,11,14-15,17-18,20,35H,2-4,6-7,9-10,12-13H2,1H3,(H,34,37);5,8,11,14-15,17-18,20H,2-4,6-7,9-10,12-13H2,1H3,(H,32,35)(H3,29,33,36);6,9,12,15-16,18-19,21,32H,3-5,7-8,10-11,13-14H2,1-2H3,(H,31,34)
InChIKeyYSJKGTZTZGDLAI-UHFFFAOYSA-N
MW2670.01 g/mol
LogP18.32
Rot. Bonds42

About N-[1-[4-(1-acetamidopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-[1-(carbamoylamino)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-[1-(methanesulfonamido)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-[1-(methylcarbamoylamino)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;3-[6-(trifluoromethyl)quinazolin-4-yl]-N-[1-[4-[1-(trifluoromethylsulfonylamino)propyl]cyclohexyl]azetidin-3-yl]propanamide

N-[1-[4-(1-acetamidopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-[1-(carbamoylamino)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-[1-(methanesulfonamido)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-[1-(methylcarbamoylamino)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;3-[6-(trifluoromethyl)quinazolin-4-yl]-N-[1-[4-[1-(trifluoromethylsulfonylamino)propyl]cyclohexyl]azetidin-3-yl]propanamide (PubChem CID 162002314) has the molecular formula C127H167F18N27O12S2 and a molecular weight of 2670.01 g/mol. Its IUPAC name is N-[1-[4-(1-acetamidopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-[1-(carbamoylamino)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-[1-(methanesulfonamido)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-[1-(methylcarbamoylamino)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;3-[6-(trifluoromethyl)quinazolin-4-yl]-N-[1-[4-[1-(trifluoromethylsulfonylamino)propyl]cyclohexyl]azetidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[1-[4-(1-acetamidopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-[1-(carbamoylamino)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-[1-(methanesulfonamido)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-[1-(methylcarbamoylamino)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;3-[6-(trifluoromethyl)quinazolin-4-yl]-N-[1-[4-[1-(trifluoromethylsulfonylamino)propyl]cyclohexyl]azetidin-3-yl]propanamide
PubChem CID162002314
Molecular FormulaC127H167F18N27O12S2
Molecular Weight2670.01 g/mol
Exact Mass2668.24
IUPAC NameN-[1-[4-(1-acetamidopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-[1-(carbamoylamino)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-[1-(methanesulfonamido)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-[1-(methylcarbamoylamino)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;3-[6-(trifluoromethyl)quinazolin-4-yl]-N-[1-[4-[1-(trifluoromethylsulfonylamino)propyl]cyclohexyl]azetidin-3-yl]propanamide
SMILESCCC(NC(=O)NC)C1CCC(N2CC(NC(=O)CCc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.CCC(NC(C)=O)C1CCC(N2CC(NC(=O)CCc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.CCC(NC(N)=O)C1CCC(N2CC(NC(=O)CCc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.CCC(NS(=O)(=O)C(F)(F)F)C1CCC(N2CC(NC(=O)CCc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.CCC(NS(C)(=O)=O)C1CCC(N2CC(NC(=O)CCc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1
InChIInChI=1S/C26H35F3N6O2.C26H34F3N5O2.C25H31F6N5O3S.C25H33F3N6O2.C25H34F3N5O3S/c1-3-21(34-25(37)30-2)16-4-7-19(8-5-16)35-13-18(14-35)33-24(36)11-10-23-20-12-17(26(27,28)29)6-9-22(20)31-15-32-23;1-3-22(32-16(2)35)17-4-7-20(8-5-17)34-13-19(14-34)33-25(36)11-10-24-21-12-18(26(27,28)29)6-9-23(21)30-15-31-24;1-2-20(35-40(38,39)25(29,30)31)15-3-6-18(7-4-15)36-12-17(13-36)34-23(37)10-9-22-19-11-16(24(26,27)28)5-8-21(19)32-14-33-22;1-2-20(33-24(29)36)15-3-6-18(7-4-15)34-12-17(13-34)32-23(35)10-9-22-19-11-16(25(26,27)28)5-8-21(19)30-14-31-22;1-3-21(32-37(2,35)36)16-4-7-19(8-5-16)33-13-18(14-33)31-24(34)11-10-23-20-12-17(25(26,27)28)6-9-22(20)29-15-30-23/h6,9,12,15-16,18-19,21H,3-5,7-8,10-11,13-14H2,1-2H3,(H,33,36)(H2,30,34,37);6,9,12,15,17,19-20,22H,3-5,7-8,10-11,13-14H2,1-2H3,(H,32,35)(H,33,36);5,8,11,14-15,17-18,20,35H,2-4,6-7,9-10,12-13H2,1H3,(H,34,37);5,8,11,14-15,17-18,20H,2-4,6-7,9-10,12-13H2,1H3,(H,32,35)(H3,29,33,36);6,9,12,15-16,18-19,21,32H,3-5,7-8,10-11,13-14H2,1-2H3,(H,31,34)
InChIKeyYSJKGTZTZGDLAI-UHFFFAOYSA-N
XLogP18.32
TPSA508.29 Ų
H-Bond Donors12
H-Bond Acceptors27
Rotatable Bonds42
Heavy Atoms186
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002670.01
LogP ≤ 518.32
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1027

Analyze N-[1-[4-(1-acetamidopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-[1-(carbamoylamino)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-[1-(methanesulfonamido)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-[1-(methylcarbamoylamino)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;3-[6-(trifluoromethyl)quinazolin-4-yl]-N-[1-[4-[1-(trifluoromethylsulfonylamino)propyl]cyclohexyl]azetidin-3-yl]propanamide with MolForge

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Related Compounds

3-[6-(trifluoromethyl)quinazolin-4-yl]-N-[1-[4-[1-(trifluoromethylsulfonylamino)propyl]cyclohexyl]azetidin-3-yl]propanamide
CID 58562498
N-[1-[4-[1-(methanesulfonamido)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide
CID 58562674
N-(1-cyclohexylazetidin-3-yl)-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide;N-[1-(4-cyclohexylcyclohexyl)azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide
CID 118234875
N-[1-[4-[4-[4-[[2-[[1-[4-(1-methyl-5-oxopyrrolidin-2-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]amino]-6-(trifluoromethyl)quinazolin-8-yl]-2-oxopyrrolidin-1-yl]cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide
CID 123151122
N-[1-[4-(5-amino-2-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[[1-[5-amino-6-[4-[3-[[2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetyl]amino]azetidin-1-yl]cyclohexyl]-3-pyridinyl]-6-(trifluoromethyl)quinazolin-1-ium-4-yl]amino]acetamide
CID 123810173
ethane;1-methyl-5-[4-[3-(methylamino)azetidin-1-yl]cyclohexyl]pyrrolidin-2-one;N-[1-[4-(2-oxopyrrolidin-1-yl)cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide;2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetaldehyde
CID 144298918
N-[1-[4-(1-acetamidopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-[1-(dimethylcarbamoylamino)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-[1-(methanesulfonamido)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;methyl N-[1-[4-[3-[3-[6-(trifluoromethyl)quinazolin-4-yl]propanoylamino]azetidin-1-yl]cyclohexyl]propyl]carbamate
CID 157196448
N-[1-[4-(1-aminopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;1-[1-[4-(3,3-difluoropyrrolidin-1-yl)cyclohexyl]azetidin-3-yl]-3-[(6-methylquinazolin-4-yl)amino]propan-2-one;1-[1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexyl]azetidin-3-yl]-3-[(6-methylquinazolin-4-yl)amino]propan-2-one;1-[(6-methylquinazolin-4-yl)amino]-3-[1-(4-morpholin-4-ylcyclohexyl)azetidin-3-yl]propan-2-one;1-[(6-methylquinazolin-4-yl)amino]-3-[1-(4-thiomorpholin-4-ylcyclohexyl)azetidin-3-yl]propan-2-one;N-[1-[4-[1-[(2,2,2-trifluoroacetyl)amino]propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide
CID 157326167
benzyl N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N-ethylcarbamate;benzyl N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N-propylcarbamate;N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N-methylbutanamide;N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N-methylmethanesulfonamide;N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N-methylpropanamide
CID 157446142
(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-oxoazetidine-1-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(R)-cyclopropyl(phenyl)methyl]-2-N-methyl-4-oxo-2-N-pyrimidin-2-ylazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-N-methyl-4-oxo-1-N-[(1R)-1-phenylbutyl]-2-N-pyrimidin-2-ylazetidine-1,2-dicarboxamide
CID 157584560
N-[1-[4-(1-acetamidopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-[1-(dimethylamino)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-[1-(dimethylcarbamoylamino)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-[1-(methylcarbamoylamino)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;methyl N-[1-[4-[3-[3-[6-(trifluoromethyl)quinazolin-4-yl]propanoylamino]azetidin-1-yl]cyclohexyl]propyl]carbamate
CID 157831073
8-[(2S)-1-[[6-[6-[(1-acetylpiperidin-4-yl)-methylamino]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide;8-[(2S)-1-[[6-[2-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[6-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[2-(2,2,2-trifluoroethylamino)pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;sulfane
CID 157862244

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(1-acetamidopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-[1-(carbamoylamino)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-[1-(methanesulfonamido)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-[1-(methylcarbamoylamino)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;3-[6-(trifluoromethyl)quinazolin-4-yl]-N-[1-[4-[1-(trifluoromethylsulfonylamino)propyl]cyclohexyl]azetidin-3-yl]propanamide?
The IUPAC name of N-[1-[4-(1-acetamidopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-[1-(carbamoylamino)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-[1-(methanesulfonamido)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-[1-(methylcarbamoylamino)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;3-[6-(trifluoromethyl)quinazolin-4-yl]-N-[1-[4-[1-(trifluoromethylsulfonylamino)propyl]cyclohexyl]azetidin-3-yl]propanamide (CID 162002314) is N-[1-[4-(1-acetamidopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-[1-(carbamoylamino)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-[1-(methanesulfonamido)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-[1-(methylcarbamoylamino)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;3-[6-(trifluoromethyl)quinazolin-4-yl]-N-[1-[4-[1-(trifluoromethylsulfonylamino)propyl]cyclohexyl]azetidin-3-yl]propanamide.
What is the SMILES notation for N-[1-[4-(1-acetamidopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-[1-(carbamoylamino)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-[1-(methanesulfonamido)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-[1-(methylcarbamoylamino)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;3-[6-(trifluoromethyl)quinazolin-4-yl]-N-[1-[4-[1-(trifluoromethylsulfonylamino)propyl]cyclohexyl]azetidin-3-yl]propanamide?
The canonical SMILES for N-[1-[4-(1-acetamidopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-[1-(carbamoylamino)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-[1-(methanesulfonamido)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-[1-(methylcarbamoylamino)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;3-[6-(trifluoromethyl)quinazolin-4-yl]-N-[1-[4-[1-(trifluoromethylsulfonylamino)propyl]cyclohexyl]azetidin-3-yl]propanamide is CCC(NC(=O)NC)C1CCC(N2CC(NC(=O)CCc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.CCC(NC(C)=O)C1CCC(N2CC(NC(=O)CCc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.CCC(NC(N)=O)C1CCC(N2CC(NC(=O)CCc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.CCC(NS(=O)(=O)C(F)(F)F)C1CCC(N2CC(NC(=O)CCc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.CCC(NS(C)(=O)=O)C1CCC(N2CC(NC(=O)CCc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.
What is the InChIKey of N-[1-[4-(1-acetamidopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-[1-(carbamoylamino)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-[1-(methanesulfonamido)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-[1-(methylcarbamoylamino)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;3-[6-(trifluoromethyl)quinazolin-4-yl]-N-[1-[4-[1-(trifluoromethylsulfonylamino)propyl]cyclohexyl]azetidin-3-yl]propanamide?
The InChIKey is YSJKGTZTZGDLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35F3N6O2.C26H34F3N5O2.C25H31F6N5O3S.C25H33F3N6O2.C25H34F3N5O3S/c1-3-21(34-25(37)30-2)16-4-7-19(8-5-16)35-13-18(14-35)33-24(36)11-10-23-20-12-17(26(27,28)29)6-9-22(20)31-15-32-23;1-3-22(32-16(2)35)17-4-7-20(8-5-17)34-13-19(14-34)33-25(36)11-10-24-21-12-18(26(27,28)29)6-9-23(21)30-15-31-24;1-2-20(35-40(38,39)25(29,30)31)15-3-6-18(7-4-15)36-12-17(13-36)34-23(37)10-9-22-19-11-16(24(26,27)28)5-8-21(19)32-14-33-22;1-2-20(33-24(29)36)15-3-6-18(7-4-15)34-12-17(13-34)32-23(35)10-9-22-19-11-16(25(26,27)28)5-8-21(19)30-14-31-22;1-3-21(32-37(2,35)36)16-4-7-19(8-5-16)33-13-18(14-33)31-24(34)11-10-23-20-12-17(25(26,27)28)6-9-22(20)29-15-30-23/h6,9,12,15-16,18-19,21H,3-5,7-8,10-11,13-14H2,1-2H3,(H,33,36)(H2,30,34,37);6,9,12,15,17,19-20,22H,3-5,7-8,10-11,13-14H2,1-2H3,(H,32,35)(H,33,36);5,8,11,14-15,17-18,20,35H,2-4,6-7,9-10,12-13H2,1H3,(H,34,37);5,8,11,14-15,17-18,20H,2-4,6-7,9-10,12-13H2,1H3,(H,32,35)(H3,29,33,36);6,9,12,15-16,18-19,21,32H,3-5,7-8,10-11,13-14H2,1-2H3,(H,31,34).
What are the key properties of N-[1-[4-(1-acetamidopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-[1-(carbamoylamino)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-[1-(methanesulfonamido)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-[1-(methylcarbamoylamino)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;3-[6-(trifluoromethyl)quinazolin-4-yl]-N-[1-[4-[1-(trifluoromethylsulfonylamino)propyl]cyclohexyl]azetidin-3-yl]propanamide?
N-[1-[4-(1-acetamidopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-[1-(carbamoylamino)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-[1-(methanesulfonamido)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-[1-(methylcarbamoylamino)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;3-[6-(trifluoromethyl)quinazolin-4-yl]-N-[1-[4-[1-(trifluoromethylsulfonylamino)propyl]cyclohexyl]azetidin-3-yl]propanamide has a molecular weight of 2670.01 g/mol, XLogP of 18.32, 42 rotatable bonds, 12 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(1-acetamidopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-[1-(carbamoylamino)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-[1-(methanesulfonamido)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-[1-(methylcarbamoylamino)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;3-[6-(trifluoromethyl)quinazolin-4-yl]-N-[1-[4-[1-(trifluoromethylsulfonylamino)propyl]cyclohexyl]azetidin-3-yl]propanamide is sourced from PubChem (CID 162002314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).