(5-chloro-1H-pyrazol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-[2-(2-hydroxyethyl)pyrazol-3-yl]methanone;bis([(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanone);(2,3-dimethylimidazol-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(2,5-dimethyl-1H-pyrrol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine;3-[(4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;3-[(4R,5S)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-(3-methylimidazol-4-yl)methanone

C128H201ClF13N27O20 — CID 162281856

IUPAC(5-chloro-1H-pyrazol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-[2-(2-hydroxyethyl)pyrazol-3-yl]methanone;bis([(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanone);(2,3-dimethylimidazol-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(2,5-dimethyl-1H-pyrrol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine;3-[(4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;3-[(4R,5S)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-(3-methylimidazol-4-yl)methanone
SMILESCC(C)O[C@@H]1[C@H](F)CN(C(=O)CC#N)CC1(C)C.CC(C)O[C@@H]1[C@H](F)CNCC1(C)C.CC(C)O[C@H]1CCN(C(=O)c2cc(Cl)[nH]n2)C[C@H]1F.CC(C)O[C@H]1CCN(C(=O)c2ccnn2CCO)CC1(F)F.CC(C)O[C@H]1CCN(C(=O)c2cncn2C)C[C@H]1F.CC(C)O[C@H]1[C@@H](F)CN(C(=O)CC#N)CC1(C)C.Cc1cc(C(=O)N2CC[C@H](OC(C)C)[C@H](F)C2)c(C)[nH]1.Cc1nc(C(=O)N2CC[C@H](OC(C)C)C(F)(F)C2)n[nH]1.Cc1nc(C(=O)N2CC[C@H](OC(C)C)C(F)(F)C2)n[nH]1.Cc1ncc(C(=O)N2CC[C@H](OC(C)C)[C@H](F)C2)n1C
InChIInChI=1S/C15H23FN2O2.C14H21F2N3O3.C14H22FN3O2.C13H20FN3O2.2C13H21FN2O2.C12H17ClFN3O2.2C12H18F2N4O2.C10H20FNO/c1-9(2)20-14-5-6-18(8-13(14)16)15(19)12-7-10(3)17-11(12)4;1-10(2)22-12-4-6-18(9-14(12,15)16)13(21)11-3-5-17-19(11)7-8-20;1-9(2)20-13-5-6-18(8-11(13)15)14(19)12-7-16-10(3)17(12)4;1-9(2)19-12-4-5-17(7-10(12)14)13(18)11-6-15-8-16(11)3;2*1-9(2)18-12-10(14)7-16(8-13(12,3)4)11(17)5-6-15;1-7(2)19-10-3-4-17(6-8(10)14)12(18)9-5-11(13)16-15-9;2*1-7(2)20-9-4-5-18(6-12(9,13)14)11(19)10-15-8(3)16-17-10;1-7(2)13-9-8(11)5-12-6-10(9,3)4/h7,9,13-14,17H,5-6,8H2,1-4H3;3,5,10,12,20H,4,6-9H2,1-2H3;7,9,11,13H,5-6,8H2,1-4H3;6,8-10,12H,4-5,7H2,1-3H3;2*9-10,12H,5,7-8H2,1-4H3;5,7-8,10H,3-4,6H2,1-2H3,(H,15,16);2*7,9H,4-6H2,1-3H3,(H,15,16,17);7-9,12H,5-6H2,1-4H3/t13-,14+;12-;11-,13+;10-,12+;2*10-,12-;8-,10+;2*9-;8-,9-/m1011101001/s1
InChIKeyAOQCMNJBJYOXCN-OEELQBSESA-N
MW2720.61 g/mol
LogP17.23
Rot. Bonds31

About (5-chloro-1H-pyrazol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-[2-(2-hydroxyethyl)pyrazol-3-yl]methanone;bis([(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanone);(2,3-dimethylimidazol-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(2,5-dimethyl-1H-pyrrol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine;3-[(4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;3-[(4R,5S)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-(3-methylimidazol-4-yl)methanone

(5-chloro-1H-pyrazol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-[2-(2-hydroxyethyl)pyrazol-3-yl]methanone;bis([(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanone);(2,3-dimethylimidazol-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(2,5-dimethyl-1H-pyrrol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine;3-[(4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;3-[(4R,5S)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-(3-methylimidazol-4-yl)methanone (PubChem CID 162281856) has the molecular formula C128H201ClF13N27O20 and a molecular weight of 2720.61 g/mol. Its IUPAC name is (5-chloro-1H-pyrazol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-[2-(2-hydroxyethyl)pyrazol-3-yl]methanone;bis([(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanone);(2,3-dimethylimidazol-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(2,5-dimethyl-1H-pyrrol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine;3-[(4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;3-[(4R,5S)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-(3-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name(5-chloro-1H-pyrazol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-[2-(2-hydroxyethyl)pyrazol-3-yl]methanone;bis([(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanone);(2,3-dimethylimidazol-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(2,5-dimethyl-1H-pyrrol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine;3-[(4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;3-[(4R,5S)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-(3-methylimidazol-4-yl)methanone
PubChem CID162281856
Molecular FormulaC128H201ClF13N27O20
Molecular Weight2720.61 g/mol
Exact Mass2718.50
IUPAC Name(5-chloro-1H-pyrazol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-[2-(2-hydroxyethyl)pyrazol-3-yl]methanone;bis([(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanone);(2,3-dimethylimidazol-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(2,5-dimethyl-1H-pyrrol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine;3-[(4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;3-[(4R,5S)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-(3-methylimidazol-4-yl)methanone
SMILESCC(C)O[C@@H]1[C@H](F)CN(C(=O)CC#N)CC1(C)C.CC(C)O[C@@H]1[C@H](F)CNCC1(C)C.CC(C)O[C@H]1CCN(C(=O)c2cc(Cl)[nH]n2)C[C@H]1F.CC(C)O[C@H]1CCN(C(=O)c2ccnn2CCO)CC1(F)F.CC(C)O[C@H]1CCN(C(=O)c2cncn2C)C[C@H]1F.CC(C)O[C@H]1[C@@H](F)CN(C(=O)CC#N)CC1(C)C.Cc1cc(C(=O)N2CC[C@H](OC(C)C)[C@H](F)C2)c(C)[nH]1.Cc1nc(C(=O)N2CC[C@H](OC(C)C)C(F)(F)C2)n[nH]1.Cc1nc(C(=O)N2CC[C@H](OC(C)C)C(F)(F)C2)n[nH]1.Cc1ncc(C(=O)N2CC[C@H](OC(C)C)[C@H](F)C2)n1C
InChIInChI=1S/C15H23FN2O2.C14H21F2N3O3.C14H22FN3O2.C13H20FN3O2.2C13H21FN2O2.C12H17ClFN3O2.2C12H18F2N4O2.C10H20FNO/c1-9(2)20-14-5-6-18(8-13(14)16)15(19)12-7-10(3)17-11(12)4;1-10(2)22-12-4-6-18(9-14(12,15)16)13(21)11-3-5-17-19(11)7-8-20;1-9(2)20-13-5-6-18(8-11(13)15)14(19)12-7-16-10(3)17(12)4;1-9(2)19-12-4-5-17(7-10(12)14)13(18)11-6-15-8-16(11)3;2*1-9(2)18-12-10(14)7-16(8-13(12,3)4)11(17)5-6-15;1-7(2)19-10-3-4-17(6-8(10)14)12(18)9-5-11(13)16-15-9;2*1-7(2)20-9-4-5-18(6-12(9,13)14)11(19)10-15-8(3)16-17-10;1-7(2)13-9-8(11)5-12-6-10(9,3)4/h7,9,13-14,17H,5-6,8H2,1-4H3;3,5,10,12,20H,4,6-9H2,1-2H3;7,9,11,13H,5-6,8H2,1-4H3;6,8-10,12H,4-5,7H2,1-3H3;2*9-10,12H,5,7-8H2,1-4H3;5,7-8,10H,3-4,6H2,1-2H3,(H,15,16);2*7,9H,4-6H2,1-3H3,(H,15,16,17);7-9,12H,5-6H2,1-4H3/t13-,14+;12-;11-,13+;10-,12+;2*10-,12-;8-,10+;2*9-;8-,9-/m1011101001/s1
InChIKeyAOQCMNJBJYOXCN-OEELQBSESA-N
XLogP17.23
TPSA536.00 Ų
H-Bond Donors6
H-Bond Acceptors34
Rotatable Bonds31
Heavy Atoms189
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002720.61
LogP ≤ 517.23
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1034

Analyze (5-chloro-1H-pyrazol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-[2-(2-hydroxyethyl)pyrazol-3-yl]methanone;bis([(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanone);(2,3-dimethylimidazol-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(2,5-dimethyl-1H-pyrrol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine;3-[(4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;3-[(4R,5S)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-(3-methylimidazol-4-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

(3S,4R)-3-amino-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-4-ol;(3R,5R)-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-5-methylpiperidin-3-amine;2-hydroxy-N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]propanamide;N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-4-carboxamide;1-(2-methoxyethyl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide
CID 158116506
[4-[8-tert-butyl-6-(4-chloro-3-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone;[4-[8-tert-butyl-6-(4-chloro-3-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1H-pyrazol-5-yl)methanone;[8-tert-butyl-6-(4-chloro-3-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(5-methyl-4H-imidazole-2-carbonyl)piperazin-1-yl]methanone;[4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
CID 158554394
[4-[8-tert-butyl-6-(4-chlorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone;[4-[8-tert-butyl-6-(4-chlorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1H-pyrazol-5-yl)methanone;[8-tert-butyl-6-(4-chlorophenyl)imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(5-methyl-4H-imidazole-2-carbonyl)piperazin-1-yl]methanone;[4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 159853886
[4-[8-tert-butyl-6-(4-chloro-3-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone;[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;4-[6-(4-fluoro-3-methylphenyl)-8-propan-2-yl-7,8-dihydroimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-1-(2-hydroxy-2-methylpropyl)-3,3-dimethylpiperazin-2-one
CID 160873635
[4-[8-tert-butyl-6-(4-chloro-3-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone;[8-tert-butyl-6-(4-chloro-3-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(5-methyl-4H-imidazole-2-carbonyl)piperazin-1-yl]methanone;[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;4-[6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-1-(2-hydroxy-2-methylpropyl)-3,3-dimethylpiperazin-2-one
CID 162022131
(3-amino-1H-1,2,4-triazol-5-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(5-chloro-1H-pyrazol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;2,2-difluoro-4-propan-2-yloxycyclohexan-1-one;[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-[2-(2-hydroxyethyl)pyrazol-3-yl]methanone;(2,5-dimethyl-1H-pyrrol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(3R)-3-[(4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine-1-carbonyl]cyclopentan-1-one;(3R)-3-[(4R,5S)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine-1-carbonyl]cyclopentan-1-one;3-[(4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;3-[(4R,5S)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;N-[(2S)-1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-1-oxopropan-2-yl]acetamide
CID 162278342
(3-amino-1H-1,2,4-triazol-5-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(5-chloro-1H-pyrazol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;2,2-difluoro-4-propan-2-yloxycyclohexan-1-one;[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-[2-(2-hydroxyethyl)pyrazol-3-yl]methanone;(2,5-dimethyl-1H-pyrrol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(3R)-3-[(4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine-1-carbonyl]cyclopentan-1-one;(3R)-3-[(4R,5S)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine-1-carbonyl]cyclopentan-1-one;3-[(4R,5S)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;N-[(2S)-1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-1-oxopropan-2-yl]acetamide
CID 162278345
[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-[2-(2-hydroxyethyl)pyrazol-3-yl]methanone;[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanone;(2,5-dimethyl-1H-pyrrol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine;3-[(4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;3-[(4R,5S)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-(3-methylimidazol-4-yl)methanone;[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanone
CID 162281857
7-amino-3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;7-amino-3-tert-butylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-8-chloro-5-methylpyrido[3,4-d]pyrimidin-4-one;3-tert-butyl-5,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-one;7-tert-butyl-1,3-dimethylpurine-2,6-dione;6-tert-butyl-3-isocyano-1-methylpyrrolo[2,3-d]pyridazin-7-one;3-tert-butyl-5-methylimidazo[4,5-d]triazin-4-one;1-tert-butyl-7-methyl-8-(oxetan-3-ylamino)purin-6-one;N-(1-tert-butyl-7-methyl-6-oxopurin-8-yl)acetamide;3-tert-butyl-5-methyl-4-oxopyrido[3,4-d]pyrimidine-8-carbonitrile;5-tert-butyl-3-methyl-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;7-tert-butyl-1-methylpurin-6-one;6-tert-butyl-1-methylpyrazolo[4,5-d]pyridazin-7-one;3-tert-butyl-5-methylpyrido[3,2-d]pyrimidine-4,6-dione;6-tert-butyl-4-methylpyrimido[4,5-c]pyridazin-5-one;3-tert-butyl-5-methylpyrimido[4,5-d]pyrimidin-4-one
CID 158018253
4-[8-tert-butyl-6-(4-chloro-3-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[8-tert-butyl-6-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(2H-pyrrol-4-yl)piperazin-2-one;4-[8-tert-butyl-6-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(3H-pyrrol-5-yl)piperazin-2-one;[4-[6-(4-fluorophenyl)-8-(2-fluoropropan-2-yl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 159141428
7-amino-3-tert-butyl-5-methylpyrido[2,3-d]pyrimidin-4-one;7-amino-3-tert-butylpyrido[2,3-d]pyrimidin-4-one;3-tert-butyl-8-chloro-5-methylpyrido[3,4-d]pyrimidin-4-one;3-tert-butyl-5,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-one;7-tert-butyl-1,3-dimethylpurine-2,6-dione;6-tert-butyl-3-isocyano-1-methylpyrrolo[2,3-d]pyridazin-7-one;5-tert-butyl-3-methylimidazo[4,5-d]pyridazin-4-one;N-(1-tert-butyl-7-methyl-6-oxopurin-8-yl)acetamide;3-tert-butyl-5-methyl-4-oxopyrido[3,4-d]pyrimidine-8-carbonitrile;7-tert-butyl-1-methylpurin-6-one;6-tert-butyl-1-methylpyrazolo[4,5-d]pyrimidin-7-one;3-tert-butyl-5-methylpyrido[3,2-d]pyrimidine-4,6-dione;6-tert-butyl-4-methylpyrimido[4,5-c]pyridazin-5-one;3-tert-butyl-5-methylpyrimido[4,5-d]pyrimidin-4-one;6-tert-butylpyrido[2,3-d]pyridazin-5-one;3-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile;2-methylpropane
CID 159294346
[4-[8-tert-butyl-6-(4-chloro-3-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone;[4-[8-tert-butyl-6-(4-chloro-3-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1H-pyrazol-5-yl)methanone;[4-[8-tert-butyl-6-(4-chloro-3-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-pyridin-2-ylmethanone;[8-tert-butyl-6-(4-chloro-3-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(pyrimidine-2-carbonyl)piperazin-1-yl]methanone
CID 160293467

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1H-pyrazol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-[2-(2-hydroxyethyl)pyrazol-3-yl]methanone;bis([(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanone);(2,3-dimethylimidazol-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(2,5-dimethyl-1H-pyrrol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine;3-[(4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;3-[(4R,5S)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-(3-methylimidazol-4-yl)methanone?
The IUPAC name of (5-chloro-1H-pyrazol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-[2-(2-hydroxyethyl)pyrazol-3-yl]methanone;bis([(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanone);(2,3-dimethylimidazol-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(2,5-dimethyl-1H-pyrrol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine;3-[(4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;3-[(4R,5S)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-(3-methylimidazol-4-yl)methanone (CID 162281856) is (5-chloro-1H-pyrazol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-[2-(2-hydroxyethyl)pyrazol-3-yl]methanone;bis([(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanone);(2,3-dimethylimidazol-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(2,5-dimethyl-1H-pyrrol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine;3-[(4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;3-[(4R,5S)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-(3-methylimidazol-4-yl)methanone.
What is the SMILES notation for (5-chloro-1H-pyrazol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-[2-(2-hydroxyethyl)pyrazol-3-yl]methanone;bis([(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanone);(2,3-dimethylimidazol-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(2,5-dimethyl-1H-pyrrol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine;3-[(4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;3-[(4R,5S)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-(3-methylimidazol-4-yl)methanone?
The canonical SMILES for (5-chloro-1H-pyrazol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-[2-(2-hydroxyethyl)pyrazol-3-yl]methanone;bis([(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanone);(2,3-dimethylimidazol-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(2,5-dimethyl-1H-pyrrol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine;3-[(4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;3-[(4R,5S)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-(3-methylimidazol-4-yl)methanone is CC(C)O[C@@H]1[C@H](F)CN(C(=O)CC#N)CC1(C)C.CC(C)O[C@@H]1[C@H](F)CNCC1(C)C.CC(C)O[C@H]1CCN(C(=O)c2cc(Cl)[nH]n2)C[C@H]1F.CC(C)O[C@H]1CCN(C(=O)c2ccnn2CCO)CC1(F)F.CC(C)O[C@H]1CCN(C(=O)c2cncn2C)C[C@H]1F.CC(C)O[C@H]1[C@@H](F)CN(C(=O)CC#N)CC1(C)C.Cc1cc(C(=O)N2CC[C@H](OC(C)C)[C@H](F)C2)c(C)[nH]1.Cc1nc(C(=O)N2CC[C@H](OC(C)C)C(F)(F)C2)n[nH]1.Cc1nc(C(=O)N2CC[C@H](OC(C)C)C(F)(F)C2)n[nH]1.Cc1ncc(C(=O)N2CC[C@H](OC(C)C)[C@H](F)C2)n1C.
What is the InChIKey of (5-chloro-1H-pyrazol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-[2-(2-hydroxyethyl)pyrazol-3-yl]methanone;bis([(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanone);(2,3-dimethylimidazol-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(2,5-dimethyl-1H-pyrrol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine;3-[(4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;3-[(4R,5S)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-(3-methylimidazol-4-yl)methanone?
The InChIKey is AOQCMNJBJYOXCN-OEELQBSESA-N. The full InChI is InChI=1S/C15H23FN2O2.C14H21F2N3O3.C14H22FN3O2.C13H20FN3O2.2C13H21FN2O2.C12H17ClFN3O2.2C12H18F2N4O2.C10H20FNO/c1-9(2)20-14-5-6-18(8-13(14)16)15(19)12-7-10(3)17-11(12)4;1-10(2)22-12-4-6-18(9-14(12,15)16)13(21)11-3-5-17-19(11)7-8-20;1-9(2)20-13-5-6-18(8-11(13)15)14(19)12-7-16-10(3)17(12)4;1-9(2)19-12-4-5-17(7-10(12)14)13(18)11-6-15-8-16(11)3;2*1-9(2)18-12-10(14)7-16(8-13(12,3)4)11(17)5-6-15;1-7(2)19-10-3-4-17(6-8(10)14)12(18)9-5-11(13)16-15-9;2*1-7(2)20-9-4-5-18(6-12(9,13)14)11(19)10-15-8(3)16-17-10;1-7(2)13-9-8(11)5-12-6-10(9,3)4/h7,9,13-14,17H,5-6,8H2,1-4H3;3,5,10,12,20H,4,6-9H2,1-2H3;7,9,11,13H,5-6,8H2,1-4H3;6,8-10,12H,4-5,7H2,1-3H3;2*9-10,12H,5,7-8H2,1-4H3;5,7-8,10H,3-4,6H2,1-2H3,(H,15,16);2*7,9H,4-6H2,1-3H3,(H,15,16,17);7-9,12H,5-6H2,1-4H3/t13-,14+;12-;11-,13+;10-,12+;2*10-,12-;8-,10+;2*9-;8-,9-/m1011101001/s1.
What are the key properties of (5-chloro-1H-pyrazol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-[2-(2-hydroxyethyl)pyrazol-3-yl]methanone;bis([(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanone);(2,3-dimethylimidazol-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(2,5-dimethyl-1H-pyrrol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine;3-[(4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;3-[(4R,5S)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-(3-methylimidazol-4-yl)methanone?
(5-chloro-1H-pyrazol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-[2-(2-hydroxyethyl)pyrazol-3-yl]methanone;bis([(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanone);(2,3-dimethylimidazol-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(2,5-dimethyl-1H-pyrrol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine;3-[(4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;3-[(4R,5S)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-(3-methylimidazol-4-yl)methanone has a molecular weight of 2720.61 g/mol, XLogP of 17.23, 31 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1H-pyrazol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-[2-(2-hydroxyethyl)pyrazol-3-yl]methanone;bis([(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanone);(2,3-dimethylimidazol-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(2,5-dimethyl-1H-pyrrol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine;3-[(4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;3-[(4R,5S)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-(3-methylimidazol-4-yl)methanone is sourced from PubChem (CID 162281856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).