1-[1-[4-[cyclopropyl(hydroxy)methyl]cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-[cyclopropyl(hydroxy)methyl]-1-deuteriocyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(3,6-dihydro-2H-pyran-2-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-(4-ethenylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxy-2-methylpropyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;N-[1-[4-(3-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[(7-methylisoquinolin-1-yl)amino]acetamide

C150H184F15N25O11 — CID 157203879

IUPAC1-[1-[4-[cyclopropyl(hydroxy)methyl]cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-[cyclopropyl(hydroxy)methyl]-1-deuteriocyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(3,6-dihydro-2H-pyran-2-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-(4-ethenylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxy-2-methylpropyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;N-[1-[4-(3-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[(7-methylisoquinolin-1-yl)amino]acetamide
SMILESC=CC1CCC(N2CC(CC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.CC(C)C(O)C1CCC(N2CC(CC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.Cc1ccc2ccnc(NCC(=O)NC3CN(C4CCC(c5ncccc5O)CC4)C3)c2c1.O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)CC1CN(C2CCC(C(O)C3CC3)CC2)C1.O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)CC1CN(C2CCC(C3CC=CCO3)CC2)C1.[2H]C1(N2CC(CC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CCC(C(O)C2CC2)CC1
InChIInChI=1S/C26H31F3N4O2.C26H31N5O2.2C25H31F3N4O2.C25H33F3N4O2.C23H27F3N4O/c27-26(28,29)19-6-9-23-22(12-19)25(32-16-31-23)30-13-21(34)11-17-14-33(15-17)20-7-4-18(5-8-20)24-3-1-2-10-35-24;1-17-4-5-18-10-12-28-26(22(18)13-17)29-14-24(33)30-20-15-31(16-20)21-8-6-19(7-9-21)25-23(32)3-2-11-27-25;2*26-25(27,28)18-5-8-22-21(10-18)24(31-14-30-22)29-11-20(33)9-15-12-32(13-15)19-6-3-17(4-7-19)23(34)16-1-2-16;1-15(2)23(34)17-3-6-19(7-4-17)32-12-16(13-32)9-20(33)11-29-24-21-10-18(25(26,27)28)5-8-22(21)30-14-31-24;1-2-15-3-6-18(7-4-15)30-12-16(13-30)9-19(31)11-27-22-20-10-17(23(24,25)26)5-8-21(20)28-14-29-22/h1-2,6,9,12,16-18,20,24H,3-5,7-8,10-11,13-15H2,(H,30,31,32);2-5,10-13,19-21,32H,6-9,14-16H2,1H3,(H,28,29)(H,30,33);2*5,8,10,14-17,19,23,34H,1-4,6-7,9,11-13H2,(H,29,30,31);5,8,10,14-17,19,23,34H,3-4,6-7,9,11-13H2,1-2H3,(H,29,30,31);2,5,8,10,14-16,18H,1,3-4,6-7,9,11-13H2,(H,27,28,29)/i;;19D;;;
InChIKeyARCSPSCKINKMNL-VCTIUESFSA-N
MW2799.26 g/mol
LogP26.22
Rot. Bonds44

About 1-[1-[4-[cyclopropyl(hydroxy)methyl]cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-[cyclopropyl(hydroxy)methyl]-1-deuteriocyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(3,6-dihydro-2H-pyran-2-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-(4-ethenylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxy-2-methylpropyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;N-[1-[4-(3-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[(7-methylisoquinolin-1-yl)amino]acetamide

1-[1-[4-[cyclopropyl(hydroxy)methyl]cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-[cyclopropyl(hydroxy)methyl]-1-deuteriocyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(3,6-dihydro-2H-pyran-2-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-(4-ethenylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxy-2-methylpropyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;N-[1-[4-(3-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[(7-methylisoquinolin-1-yl)amino]acetamide (PubChem CID 157203879) has the molecular formula C150H184F15N25O11 and a molecular weight of 2799.26 g/mol. Its IUPAC name is 1-[1-[4-[cyclopropyl(hydroxy)methyl]cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-[cyclopropyl(hydroxy)methyl]-1-deuteriocyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(3,6-dihydro-2H-pyran-2-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-(4-ethenylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxy-2-methylpropyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;N-[1-[4-(3-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[(7-methylisoquinolin-1-yl)amino]acetamide.

Molecular Properties

Compound Name1-[1-[4-[cyclopropyl(hydroxy)methyl]cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-[cyclopropyl(hydroxy)methyl]-1-deuteriocyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(3,6-dihydro-2H-pyran-2-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-(4-ethenylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxy-2-methylpropyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;N-[1-[4-(3-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[(7-methylisoquinolin-1-yl)amino]acetamide
PubChem CID157203879
Molecular FormulaC150H184F15N25O11
Molecular Weight2799.26 g/mol
Exact Mass2797.44
IUPAC Name1-[1-[4-[cyclopropyl(hydroxy)methyl]cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-[cyclopropyl(hydroxy)methyl]-1-deuteriocyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(3,6-dihydro-2H-pyran-2-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-(4-ethenylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxy-2-methylpropyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;N-[1-[4-(3-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[(7-methylisoquinolin-1-yl)amino]acetamide
SMILESC=CC1CCC(N2CC(CC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.CC(C)C(O)C1CCC(N2CC(CC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.Cc1ccc2ccnc(NCC(=O)NC3CN(C4CCC(c5ncccc5O)CC4)C3)c2c1.O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)CC1CN(C2CCC(C(O)C3CC3)CC2)C1.O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)CC1CN(C2CCC(C3CC=CCO3)CC2)C1.[2H]C1(N2CC(CC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CCC(C(O)C2CC2)CC1
InChIInChI=1S/C26H31F3N4O2.C26H31N5O2.2C25H31F3N4O2.C25H33F3N4O2.C23H27F3N4O/c27-26(28,29)19-6-9-23-22(12-19)25(32-16-31-23)30-13-21(34)11-17-14-33(15-17)20-7-4-18(5-8-20)24-3-1-2-10-35-24;1-17-4-5-18-10-12-28-26(22(18)13-17)29-14-24(33)30-20-15-31(16-20)21-8-6-19(7-9-21)25-23(32)3-2-11-27-25;2*26-25(27,28)18-5-8-22-21(10-18)24(31-14-30-22)29-11-20(33)9-15-12-32(13-15)19-6-3-17(4-7-19)23(34)16-1-2-16;1-15(2)23(34)17-3-6-19(7-4-17)32-12-16(13-32)9-20(33)11-29-24-21-10-18(25(26,27)28)5-8-22(21)30-14-31-24;1-2-15-3-6-18(7-4-15)30-12-16(13-30)9-19(31)11-27-22-20-10-17(23(24,25)26)5-8-21(20)28-14-29-22/h1-2,6,9,12,16-18,20,24H,3-5,7-8,10-11,13-15H2,(H,30,31,32);2-5,10-13,19-21,32H,6-9,14-16H2,1H3,(H,28,29)(H,30,33);2*5,8,10,14-17,19,23,34H,1-4,6-7,9,11-13H2,(H,29,30,31);5,8,10,14-17,19,23,34H,3-4,6-7,9,11-13H2,1-2H3,(H,29,30,31);2,5,8,10,14-16,18H,1,3-4,6-7,9,11-13H2,(H,27,28,29)/i;;19D;;;
InChIKeyARCSPSCKINKMNL-VCTIUESFSA-N
XLogP26.22
TPSA450.90 Ų
H-Bond Donors11
H-Bond Acceptors35
Rotatable Bonds44
Heavy Atoms201
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002799.26
LogP ≤ 526.22
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

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

Analyze 1-[1-[4-[cyclopropyl(hydroxy)methyl]cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-[cyclopropyl(hydroxy)methyl]-1-deuteriocyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(3,6-dihydro-2H-pyran-2-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-(4-ethenylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxy-2-methylpropyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;N-[1-[4-(3-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[(7-methylisoquinolin-1-yl)amino]acetamide with MolForge

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Launch Full Analysis

Related Compounds

2-[[1-[3-hydroxy-4-[4-[3-[[2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetyl]amino]azetidin-1-yl]cyclohexyl]phenyl]-6-(trifluoromethyl)quinazolin-1-ium-4-yl]amino]-N-[1-[4-(3-methoxy-4-pyridinyl)cyclohexyl]azetidin-3-yl]acetamide
CID 123235468
N-[1-[4-(3-methoxy-4-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide;2-[4-[3-(methylamino)azetidin-1-yl]cyclohexyl]phenol;2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetaldehyde
CID 144298935
1-[1-[4-(2,5-dihydrofuran-2-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-(4-ethenylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;2-[(7-methylisoquinolin-1-yl)amino]-N-[1-[4-(5-oxocyclohex-3-en-1-yl)cyclohexyl]azetidin-3-yl]acetamide;2-[(7-methylisoquinolin-1-yl)amino]-N-[1-[4-(3-oxocyclopentyl)cyclohexyl]azetidin-3-yl]acetamide
CID 157462071
1-[1-[4-(2,5-dihydrofuran-2-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;methane;2-[(7-methylisoquinolin-1-yl)amino]-N-[1-[4-(5-oxocyclohex-3-en-1-yl)cyclohexyl]azetidin-3-yl]acetamide;2-[(7-methylisoquinolin-1-yl)amino]-N-[1-[4-(3-oxocyclohexyl)cyclohexyl]azetidin-3-yl]acetamide;2-[(7-methylisoquinolin-1-yl)amino]-N-[1-[4-(3-oxocyclopentyl)cyclohexyl]azetidin-3-yl]acetamide
CID 158914096
benzyl N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N-methylcarbamate;N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N,2-dimethylpropanamide;N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N-methylacetamide;N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N-methylpropanamide;methane;N-[1-[4-(methylamino)cyclohexyl]azetidin-3-yl]-2-[[7-(trifluoromethyl)isoquinolin-1-yl]amino]acetamide;N-[1-[4-(2-oxopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide
CID 159142959
1-[1-[4-[cyclopropyl(hydroxy)methyl]cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-[cyclopropyl(hydroxy)methyl]-1-deuteriocyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(3,6-dihydro-2H-pyran-2-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-(4-ethenylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxy-2-methylpropyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;N-[1-[4-(3-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[(7-methylisoquinolin-1-yl)amino]acetamide;methane
CID 159286471
benzyl N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N-methylcarbamate;N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N,2-dimethylpropanamide;N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N-methylacetamide;N-[1-[4-(methylamino)cyclohexyl]azetidin-3-yl]-2-[[7-(trifluoromethyl)isoquinolin-1-yl]amino]acetamide;N-[1-[4-(2-oxopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide
CID 159706593
1-[1-[4-(2,5-dihydrofuran-2-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;2-[(7-methylisoquinolin-1-yl)amino]-N-[1-[4-(5-oxocyclohex-3-en-1-yl)cyclohexyl]azetidin-3-yl]acetamide;2-[(7-methylisoquinolin-1-yl)amino]-N-[1-[4-(3-oxocyclohexyl)cyclohexyl]azetidin-3-yl]acetamide;2-[(7-methylisoquinolin-1-yl)amino]-N-[1-[4-(3-oxocyclopentyl)cyclohexyl]azetidin-3-yl]acetamide
CID 159738439
1-[1-[4-[cyclopropyl(hydroxy)methyl]cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-[cyclopropyl(hydroxy)methyl]-1-deuteriocyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(3,6-dihydro-2H-pyran-2-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-(4-ethenylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxy-2-methylpropyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;N-[1-[4-(3-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[(7-methylisoquinolin-8-yl)amino]acetamide
CID 159834561
benzyl N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N-methylcarbamate;N-[4-[3-[3-[[6-(1,1-difluoroethyl)quinazolin-4-yl]amino]-2-oxopropyl]azetidin-1-yl]cyclohexyl]-N,2-dimethylpropanamide;N-[1-[4-(methylamino)cyclohexyl]azetidin-3-yl]-2-[[7-(trifluoromethyl)isoquinolin-1-yl]amino]acetamide;N-[1-[4-(2-oxopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;1-[4-[3-[2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propyl]azetidin-1-yl]cyclohexyl]pyrrolidin-2-one
CID 161294984
1-[1-[4-[cyclopropyl(hydroxy)methyl]cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-[cyclopropyl(hydroxy)methyl]-1-deuteriocyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(3,6-dihydro-2H-pyran-2-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxy-2-methylpropyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;N-[1-[4-(3-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[(7-methylisoquinolin-1-yl)amino]acetamide
CID 161440231
2-[[1-[3-hydroxy-4-[4-[3-[[2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetyl]amino]azetidin-1-yl]cyclohexyl]phenyl]-6-(trifluoromethyl)-5H-quinazolin-4-yl]amino]-N-[1-[4-(3-methoxy-4-pyridinyl)cyclohexyl]azetidin-3-yl]acetamide
CID 162563803

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-[cyclopropyl(hydroxy)methyl]cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-[cyclopropyl(hydroxy)methyl]-1-deuteriocyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(3,6-dihydro-2H-pyran-2-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-(4-ethenylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxy-2-methylpropyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;N-[1-[4-(3-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[(7-methylisoquinolin-1-yl)amino]acetamide?
The IUPAC name of 1-[1-[4-[cyclopropyl(hydroxy)methyl]cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-[cyclopropyl(hydroxy)methyl]-1-deuteriocyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(3,6-dihydro-2H-pyran-2-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-(4-ethenylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxy-2-methylpropyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;N-[1-[4-(3-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[(7-methylisoquinolin-1-yl)amino]acetamide (CID 157203879) is 1-[1-[4-[cyclopropyl(hydroxy)methyl]cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-[cyclopropyl(hydroxy)methyl]-1-deuteriocyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(3,6-dihydro-2H-pyran-2-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-(4-ethenylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxy-2-methylpropyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;N-[1-[4-(3-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[(7-methylisoquinolin-1-yl)amino]acetamide.
What is the SMILES notation for 1-[1-[4-[cyclopropyl(hydroxy)methyl]cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-[cyclopropyl(hydroxy)methyl]-1-deuteriocyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(3,6-dihydro-2H-pyran-2-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-(4-ethenylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxy-2-methylpropyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;N-[1-[4-(3-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[(7-methylisoquinolin-1-yl)amino]acetamide?
The canonical SMILES for 1-[1-[4-[cyclopropyl(hydroxy)methyl]cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-[cyclopropyl(hydroxy)methyl]-1-deuteriocyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(3,6-dihydro-2H-pyran-2-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-(4-ethenylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxy-2-methylpropyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;N-[1-[4-(3-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[(7-methylisoquinolin-1-yl)amino]acetamide is C=CC1CCC(N2CC(CC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.CC(C)C(O)C1CCC(N2CC(CC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1.Cc1ccc2ccnc(NCC(=O)NC3CN(C4CCC(c5ncccc5O)CC4)C3)c2c1.O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)CC1CN(C2CCC(C(O)C3CC3)CC2)C1.O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)CC1CN(C2CCC(C3CC=CCO3)CC2)C1.[2H]C1(N2CC(CC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CCC(C(O)C2CC2)CC1.
What is the InChIKey of 1-[1-[4-[cyclopropyl(hydroxy)methyl]cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-[cyclopropyl(hydroxy)methyl]-1-deuteriocyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(3,6-dihydro-2H-pyran-2-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-(4-ethenylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxy-2-methylpropyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;N-[1-[4-(3-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[(7-methylisoquinolin-1-yl)amino]acetamide?
The InChIKey is ARCSPSCKINKMNL-VCTIUESFSA-N. The full InChI is InChI=1S/C26H31F3N4O2.C26H31N5O2.2C25H31F3N4O2.C25H33F3N4O2.C23H27F3N4O/c27-26(28,29)19-6-9-23-22(12-19)25(32-16-31-23)30-13-21(34)11-17-14-33(15-17)20-7-4-18(5-8-20)24-3-1-2-10-35-24;1-17-4-5-18-10-12-28-26(22(18)13-17)29-14-24(33)30-20-15-31(16-20)21-8-6-19(7-9-21)25-23(32)3-2-11-27-25;2*26-25(27,28)18-5-8-22-21(10-18)24(31-14-30-22)29-11-20(33)9-15-12-32(13-15)19-6-3-17(4-7-19)23(34)16-1-2-16;1-15(2)23(34)17-3-6-19(7-4-17)32-12-16(13-32)9-20(33)11-29-24-21-10-18(25(26,27)28)5-8-22(21)30-14-31-24;1-2-15-3-6-18(7-4-15)30-12-16(13-30)9-19(31)11-27-22-20-10-17(23(24,25)26)5-8-21(20)28-14-29-22/h1-2,6,9,12,16-18,20,24H,3-5,7-8,10-11,13-15H2,(H,30,31,32);2-5,10-13,19-21,32H,6-9,14-16H2,1H3,(H,28,29)(H,30,33);2*5,8,10,14-17,19,23,34H,1-4,6-7,9,11-13H2,(H,29,30,31);5,8,10,14-17,19,23,34H,3-4,6-7,9,11-13H2,1-2H3,(H,29,30,31);2,5,8,10,14-16,18H,1,3-4,6-7,9,11-13H2,(H,27,28,29)/i;;19D;;;.
What are the key properties of 1-[1-[4-[cyclopropyl(hydroxy)methyl]cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-[cyclopropyl(hydroxy)methyl]-1-deuteriocyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(3,6-dihydro-2H-pyran-2-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-(4-ethenylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxy-2-methylpropyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;N-[1-[4-(3-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[(7-methylisoquinolin-1-yl)amino]acetamide?
1-[1-[4-[cyclopropyl(hydroxy)methyl]cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-[cyclopropyl(hydroxy)methyl]-1-deuteriocyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(3,6-dihydro-2H-pyran-2-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-(4-ethenylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxy-2-methylpropyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;N-[1-[4-(3-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[(7-methylisoquinolin-1-yl)amino]acetamide has a molecular weight of 2799.26 g/mol, XLogP of 26.22, 44 rotatable bonds, 11 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-[cyclopropyl(hydroxy)methyl]cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-[cyclopropyl(hydroxy)methyl]-1-deuteriocyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(3,6-dihydro-2H-pyran-2-yl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-(4-ethenylcyclohexyl)azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;1-[1-[4-(1-hydroxy-2-methylpropyl)cyclohexyl]azetidin-3-yl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-one;N-[1-[4-(3-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[(7-methylisoquinolin-1-yl)amino]acetamide is sourced from PubChem (CID 157203879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).