2-chloro-6-fluoro-3-[(2-methylpropan-2-yl)oxy]pyridine;2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydrochromene;8-fluoro-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydrochromene;8-fluoro-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromene;3-fluoro-5-[(2-methylpropan-2-yl)oxy]pyridine;5-fluoro-8-[(2-methylpropan-2-yl)oxy]quinoline;4-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromene;4-[(2-methylpropan-2-yl)oxy]-1H-indazole;5-[(2-methylpropan-2-yl)oxy]isoquinoline;8-[(2-methylpropan-2-yl)oxy]isoquinoline;2-[(2-methylpropan-2-yl)oxy]pyridine;3-[(2-methylpropan-2-yl)oxy]pyridine;5-[(2-methylpropan-2-yl)oxy]pyrimidine;5-[(2-methylpropan-2-yl)oxy]quinoline;8-[(2-methylpropan-2-yl)oxy]quinoline;8-[(2-methylpropan-2-yl)oxy]-1,2,3,4-tetrahydroquinoline

C189H246ClF5N14O20 — CID 159724198

IUPAC2-chloro-6-fluoro-3-[(2-methylpropan-2-yl)oxy]pyridine;2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydrochromene;8-fluoro-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydrochromene;8-fluoro-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromene;3-fluoro-5-[(2-methylpropan-2-yl)oxy]pyridine;5-fluoro-8-[(2-methylpropan-2-yl)oxy]quinoline;4-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromene;4-[(2-methylpropan-2-yl)oxy]-1H-indazole;5-[(2-methylpropan-2-yl)oxy]isoquinoline;8-[(2-methylpropan-2-yl)oxy]isoquinoline;2-[(2-methylpropan-2-yl)oxy]pyridine;3-[(2-methylpropan-2-yl)oxy]pyridine;5-[(2-methylpropan-2-yl)oxy]pyrimidine;5-[(2-methylpropan-2-yl)oxy]quinoline;8-[(2-methylpropan-2-yl)oxy]quinoline;8-[(2-methylpropan-2-yl)oxy]-1,2,3,4-tetrahydroquinoline
SMILESCC(C)(C)OC1CC(C)(C)Oc2c(F)cccc21.CC(C)(C)OC1CC(C)(C)Oc2ccccc21.CC(C)(C)OC1CCOc2c(F)cccc21.CC(C)(C)OC1CCOc2ccccc21.CC(C)(C)Oc1ccc(F)c2cccnc12.CC(C)(C)Oc1ccc(F)nc1Cl.CC(C)(C)Oc1cccc2[nH]ncc12.CC(C)(C)Oc1cccc2c1NCCC2.CC(C)(C)Oc1cccc2cccnc12.CC(C)(C)Oc1cccc2ccncc12.CC(C)(C)Oc1cccc2cnccc12.CC(C)(C)Oc1cccc2ncccc12.CC(C)(C)Oc1ccccn1.CC(C)(C)Oc1cccnc1.CC(C)(C)Oc1cncc(F)c1.CC(C)(C)Oc1cncnc1
InChIInChI=1S/C15H21FO2.C15H22O2.C13H14FNO.C13H17FO2.C13H15NO.C13H19NO.3C13H15NO.C13H18O2.C11H14N2O.C9H11ClFNO.C9H12FNO.2C9H13NO.C8H12N2O/c1-14(2,3)17-12-9-15(4,5)18-13-10(12)7-6-8-11(13)16;1-14(2,3)16-13-10-15(4,5)17-12-9-7-6-8-11(12)13;1-13(2,3)16-11-7-6-10(14)9-5-4-8-15-12(9)11;1-13(2,3)16-11-7-8-15-12-9(11)5-4-6-10(12)14;1-13(2,3)15-12-8-4-7-11-10(12)6-5-9-14-11;2*1-13(2,3)15-11-8-4-6-10-7-5-9-14-12(10)11;1-13(2,3)15-12-6-4-5-10-9-14-8-7-11(10)12;1-13(2,3)15-12-6-4-5-10-7-8-14-9-11(10)12;1-13(2,3)15-12-8-9-14-11-7-5-4-6-10(11)12;1-11(2,3)14-10-6-4-5-9-8(10)7-12-13-9;1-9(2,3)13-6-4-5-7(11)12-8(6)10;1-9(2,3)12-8-4-7(10)5-11-6-8;1-9(2,3)11-8-5-4-6-10-7-8;1-9(2,3)11-8-6-4-5-7-10-8;1-8(2,3)11-7-4-9-6-10-5-7/h6-8,12H,9H2,1-5H3;6-9,13H,10H2,1-5H3;4-8H,1-3H3;4-6,11H,7-8H2,1-3H3;4-9H,1-3H3;4,6,8,14H,5,7,9H2,1-3H3;3*4-9H,1-3H3;4-7,12H,8-9H2,1-3H3;4-7H,1-3H3,(H,12,13);4-5H,1-3H3;4-6H,1-3H3;2*4-7H,1-3H3;4-6H,1-3H3
InChIKeyNAKQZLZZLZIUFT-UHFFFAOYSA-N
MW3164.57 g/mol
LogP49.92
Rot. Bonds16

About 2-chloro-6-fluoro-3-[(2-methylpropan-2-yl)oxy]pyridine;2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydrochromene;8-fluoro-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydrochromene;8-fluoro-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromene;3-fluoro-5-[(2-methylpropan-2-yl)oxy]pyridine;5-fluoro-8-[(2-methylpropan-2-yl)oxy]quinoline;4-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromene;4-[(2-methylpropan-2-yl)oxy]-1H-indazole;5-[(2-methylpropan-2-yl)oxy]isoquinoline;8-[(2-methylpropan-2-yl)oxy]isoquinoline;2-[(2-methylpropan-2-yl)oxy]pyridine;3-[(2-methylpropan-2-yl)oxy]pyridine;5-[(2-methylpropan-2-yl)oxy]pyrimidine;5-[(2-methylpropan-2-yl)oxy]quinoline;8-[(2-methylpropan-2-yl)oxy]quinoline;8-[(2-methylpropan-2-yl)oxy]-1,2,3,4-tetrahydroquinoline

2-chloro-6-fluoro-3-[(2-methylpropan-2-yl)oxy]pyridine;2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydrochromene;8-fluoro-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydrochromene;8-fluoro-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromene;3-fluoro-5-[(2-methylpropan-2-yl)oxy]pyridine;5-fluoro-8-[(2-methylpropan-2-yl)oxy]quinoline;4-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromene;4-[(2-methylpropan-2-yl)oxy]-1H-indazole;5-[(2-methylpropan-2-yl)oxy]isoquinoline;8-[(2-methylpropan-2-yl)oxy]isoquinoline;2-[(2-methylpropan-2-yl)oxy]pyridine;3-[(2-methylpropan-2-yl)oxy]pyridine;5-[(2-methylpropan-2-yl)oxy]pyrimidine;5-[(2-methylpropan-2-yl)oxy]quinoline;8-[(2-methylpropan-2-yl)oxy]quinoline;8-[(2-methylpropan-2-yl)oxy]-1,2,3,4-tetrahydroquinoline (PubChem CID 159724198) has the molecular formula C189H246ClF5N14O20 and a molecular weight of 3164.57 g/mol. Its IUPAC name is 2-chloro-6-fluoro-3-[(2-methylpropan-2-yl)oxy]pyridine;2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydrochromene;8-fluoro-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydrochromene;8-fluoro-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromene;3-fluoro-5-[(2-methylpropan-2-yl)oxy]pyridine;5-fluoro-8-[(2-methylpropan-2-yl)oxy]quinoline;4-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromene;4-[(2-methylpropan-2-yl)oxy]-1H-indazole;5-[(2-methylpropan-2-yl)oxy]isoquinoline;8-[(2-methylpropan-2-yl)oxy]isoquinoline;2-[(2-methylpropan-2-yl)oxy]pyridine;3-[(2-methylpropan-2-yl)oxy]pyridine;5-[(2-methylpropan-2-yl)oxy]pyrimidine;5-[(2-methylpropan-2-yl)oxy]quinoline;8-[(2-methylpropan-2-yl)oxy]quinoline;8-[(2-methylpropan-2-yl)oxy]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name2-chloro-6-fluoro-3-[(2-methylpropan-2-yl)oxy]pyridine;2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydrochromene;8-fluoro-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydrochromene;8-fluoro-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromene;3-fluoro-5-[(2-methylpropan-2-yl)oxy]pyridine;5-fluoro-8-[(2-methylpropan-2-yl)oxy]quinoline;4-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromene;4-[(2-methylpropan-2-yl)oxy]-1H-indazole;5-[(2-methylpropan-2-yl)oxy]isoquinoline;8-[(2-methylpropan-2-yl)oxy]isoquinoline;2-[(2-methylpropan-2-yl)oxy]pyridine;3-[(2-methylpropan-2-yl)oxy]pyridine;5-[(2-methylpropan-2-yl)oxy]pyrimidine;5-[(2-methylpropan-2-yl)oxy]quinoline;8-[(2-methylpropan-2-yl)oxy]quinoline;8-[(2-methylpropan-2-yl)oxy]-1,2,3,4-tetrahydroquinoline
PubChem CID159724198
Molecular FormulaC189H246ClF5N14O20
Molecular Weight3164.57 g/mol
Exact Mass3161.83
IUPAC Name2-chloro-6-fluoro-3-[(2-methylpropan-2-yl)oxy]pyridine;2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydrochromene;8-fluoro-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydrochromene;8-fluoro-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromene;3-fluoro-5-[(2-methylpropan-2-yl)oxy]pyridine;5-fluoro-8-[(2-methylpropan-2-yl)oxy]quinoline;4-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromene;4-[(2-methylpropan-2-yl)oxy]-1H-indazole;5-[(2-methylpropan-2-yl)oxy]isoquinoline;8-[(2-methylpropan-2-yl)oxy]isoquinoline;2-[(2-methylpropan-2-yl)oxy]pyridine;3-[(2-methylpropan-2-yl)oxy]pyridine;5-[(2-methylpropan-2-yl)oxy]pyrimidine;5-[(2-methylpropan-2-yl)oxy]quinoline;8-[(2-methylpropan-2-yl)oxy]quinoline;8-[(2-methylpropan-2-yl)oxy]-1,2,3,4-tetrahydroquinoline
SMILESCC(C)(C)OC1CC(C)(C)Oc2c(F)cccc21.CC(C)(C)OC1CC(C)(C)Oc2ccccc21.CC(C)(C)OC1CCOc2c(F)cccc21.CC(C)(C)OC1CCOc2ccccc21.CC(C)(C)Oc1ccc(F)c2cccnc12.CC(C)(C)Oc1ccc(F)nc1Cl.CC(C)(C)Oc1cccc2[nH]ncc12.CC(C)(C)Oc1cccc2c1NCCC2.CC(C)(C)Oc1cccc2cccnc12.CC(C)(C)Oc1cccc2ccncc12.CC(C)(C)Oc1cccc2cnccc12.CC(C)(C)Oc1cccc2ncccc12.CC(C)(C)Oc1ccccn1.CC(C)(C)Oc1cccnc1.CC(C)(C)Oc1cncc(F)c1.CC(C)(C)Oc1cncnc1
InChIInChI=1S/C15H21FO2.C15H22O2.C13H14FNO.C13H17FO2.C13H15NO.C13H19NO.3C13H15NO.C13H18O2.C11H14N2O.C9H11ClFNO.C9H12FNO.2C9H13NO.C8H12N2O/c1-14(2,3)17-12-9-15(4,5)18-13-10(12)7-6-8-11(13)16;1-14(2,3)16-13-10-15(4,5)17-12-9-7-6-8-11(12)13;1-13(2,3)16-11-7-6-10(14)9-5-4-8-15-12(9)11;1-13(2,3)16-11-7-8-15-12-9(11)5-4-6-10(12)14;1-13(2,3)15-12-8-4-7-11-10(12)6-5-9-14-11;2*1-13(2,3)15-11-8-4-6-10-7-5-9-14-12(10)11;1-13(2,3)15-12-6-4-5-10-9-14-8-7-11(10)12;1-13(2,3)15-12-6-4-5-10-7-8-14-9-11(10)12;1-13(2,3)15-12-8-9-14-11-7-5-4-6-10(11)12;1-11(2,3)14-10-6-4-5-9-8(10)7-12-13-9;1-9(2,3)13-6-4-5-7(11)12-8(6)10;1-9(2,3)12-8-4-7(10)5-11-6-8;1-9(2,3)11-8-5-4-6-10-7-8;1-9(2,3)11-8-6-4-5-7-10-8;1-8(2,3)11-7-4-9-6-10-5-7/h6-8,12H,9H2,1-5H3;6-9,13H,10H2,1-5H3;4-8H,1-3H3;4-6,11H,7-8H2,1-3H3;4-9H,1-3H3;4,6,8,14H,5,7,9H2,1-3H3;3*4-9H,1-3H3;4-7,12H,8-9H2,1-3H3;4-7H,1-3H3,(H,12,13);4-5H,1-3H3;4-6H,1-3H3;2*4-7H,1-3H3;4-6H,1-3H3
InChIKeyNAKQZLZZLZIUFT-UHFFFAOYSA-N
XLogP49.92
TPSA367.10 Ų
H-Bond Donors2
H-Bond Acceptors33
Rotatable Bonds16
Heavy Atoms229
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003164.57
LogP ≤ 549.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-6-fluoro-3-[(2-methylpropan-2-yl)oxy]pyridine;2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydrochromene;8-fluoro-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydrochromene;8-fluoro-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromene;3-fluoro-5-[(2-methylpropan-2-yl)oxy]pyridine;5-fluoro-8-[(2-methylpropan-2-yl)oxy]quinoline;4-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromene;4-[(2-methylpropan-2-yl)oxy]-1H-indazole;5-[(2-methylpropan-2-yl)oxy]isoquinoline;8-[(2-methylpropan-2-yl)oxy]isoquinoline;2-[(2-methylpropan-2-yl)oxy]pyridine;3-[(2-methylpropan-2-yl)oxy]pyridine;5-[(2-methylpropan-2-yl)oxy]pyrimidine;5-[(2-methylpropan-2-yl)oxy]quinoline;8-[(2-methylpropan-2-yl)oxy]quinoline;8-[(2-methylpropan-2-yl)oxy]-1,2,3,4-tetrahydroquinoline with MolForge

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Launch Full Analysis

Related Compounds

8-[(5-chloro-6-fluoro-1H-indazol-4-yl)oxy]-2-[[(3S)-3-fluoro-1-methylpiperidin-3-yl]methoxy]-4-piperazin-1-ylpyrido[3,4-d]pyrimidine
CID 139346068
8-chloro-2-(2-methoxyethoxy)-4-[(2-methylpropan-2-yl)oxy]quinoline;8-chloro-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinazoline;8-chloro-4-[(2-methylpropan-2-yl)oxy]quinoline;4-[2-[8-chloro-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]oxyethyl]morpholine;8-chloro-4-[(2-methylpropan-2-yl)oxy]-2-(2,2,2-trifluoroethoxy)quinoline;8-chloro-4-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethyl)quinolin-2-amine;3-ethoxy-1-[(2-methylpropan-2-yl)oxy]isoquinoline;7-methoxy-4-[(2-methylpropan-2-yl)oxy]cinnoline;6-methoxy-1-[(2-methylpropan-2-yl)oxy]phthalazine;4-[2-[1-[(2-methylpropan-2-yl)oxy]isoquinolin-6-yl]oxyethyl]morpholine
CID 162168050
5-[2-[5-[4-[4-[3-chloro-N-(difluoromethyl)-2-fluoroanilino]-6-[(1S)-1-pyrimidin-2-ylethoxy]quinazolin-7-yl]-1-methylpyrazol-3-yl]pyrimidin-2-yl]propan-2-yloxy]-N-(3-chloro-2,4-difluorophenyl)-7-(1H-pyrazol-4-yl)quinazolin-4-amine
CID 172621904
1-[4-[8-[(5-chloro-6-fluoro-1H-indazol-4-yl)oxy]-2-[(3R)-1,3-dimethylpiperidin-4-yl]oxypyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[2-[(2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]-8-[(5-methyl-1H-indazol-4-yl)oxy]pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-[(5-methyl-1H-indazol-4-yl)oxy]-2-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 157321347
1-[4-[8-[(5-chloro-6-fluoro-1H-indazol-4-yl)oxy]-2-[(3R,4R)-4-methoxy-1-methylpyrrolidin-3-yl]oxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-[(5-chloro-6-fluoro-1H-indazol-4-yl)oxy]-2-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 158506181
1-[4-[8-[(5-chloro-6-fluoro-1H-indazol-4-yl)oxy]-2-[(2-cyclopropyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-[(5-chloro-6-fluoro-1H-indazol-4-yl)oxy]-2-[(4R)-1,4-dimethylpiperidin-3-yl]oxypyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-[(5-chloro-6-fluoro-1H-indazol-4-yl)oxy]-2-[(5-fluoro-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)oxy]pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 158684811
1-[4-[6-chloro-8-[(5-chloro-6-fluoro-1H-indazol-4-yl)oxy]-2-[[(3S)-3-fluoro-1-methylpiperidin-3-yl]methoxy]pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-[(5-chloro-6-fluoro-1H-indazol-4-yl)oxy]-2-[(2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-[(5-chloro-6-fluoro-1H-indazol-4-yl)oxy]-2-[(4R)-4-(1-fluoroethyl)-1-methylpyrrolidin-3-yl]oxypyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 159550601
1-[4-[8-[(5-chloro-6-fluoro-1H-indazol-4-yl)oxy]-2-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]oxypyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-[(5-chloro-6-fluoro-1H-indazol-4-yl)oxy]-2-[(2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-[(5-chloro-6-fluoro-1H-indazol-4-yl)oxy]-2-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 161729592
1-[4-[8-[(5-chloro-6-fluoro-1H-indazol-4-yl)oxy]-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-[(5-chloro-6-fluoro-1H-indazol-4-yl)oxy]-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)oxy]pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 161742150
1-[4-[8-[(5-chloro-6-fluoro-1H-indazol-4-yl)oxy]-2-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]oxypyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-[(5-chloro-6-fluoro-1H-indazol-4-yl)oxy]-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-[(5-chloro-6-fluoro-1H-indazol-4-yl)oxy]-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)oxy]pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 161799032

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-3-[(2-methylpropan-2-yl)oxy]pyridine;2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydrochromene;8-fluoro-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydrochromene;8-fluoro-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromene;3-fluoro-5-[(2-methylpropan-2-yl)oxy]pyridine;5-fluoro-8-[(2-methylpropan-2-yl)oxy]quinoline;4-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromene;4-[(2-methylpropan-2-yl)oxy]-1H-indazole;5-[(2-methylpropan-2-yl)oxy]isoquinoline;8-[(2-methylpropan-2-yl)oxy]isoquinoline;2-[(2-methylpropan-2-yl)oxy]pyridine;3-[(2-methylpropan-2-yl)oxy]pyridine;5-[(2-methylpropan-2-yl)oxy]pyrimidine;5-[(2-methylpropan-2-yl)oxy]quinoline;8-[(2-methylpropan-2-yl)oxy]quinoline;8-[(2-methylpropan-2-yl)oxy]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 2-chloro-6-fluoro-3-[(2-methylpropan-2-yl)oxy]pyridine;2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydrochromene;8-fluoro-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydrochromene;8-fluoro-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromene;3-fluoro-5-[(2-methylpropan-2-yl)oxy]pyridine;5-fluoro-8-[(2-methylpropan-2-yl)oxy]quinoline;4-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromene;4-[(2-methylpropan-2-yl)oxy]-1H-indazole;5-[(2-methylpropan-2-yl)oxy]isoquinoline;8-[(2-methylpropan-2-yl)oxy]isoquinoline;2-[(2-methylpropan-2-yl)oxy]pyridine;3-[(2-methylpropan-2-yl)oxy]pyridine;5-[(2-methylpropan-2-yl)oxy]pyrimidine;5-[(2-methylpropan-2-yl)oxy]quinoline;8-[(2-methylpropan-2-yl)oxy]quinoline;8-[(2-methylpropan-2-yl)oxy]-1,2,3,4-tetrahydroquinoline (CID 159724198) is 2-chloro-6-fluoro-3-[(2-methylpropan-2-yl)oxy]pyridine;2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydrochromene;8-fluoro-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydrochromene;8-fluoro-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromene;3-fluoro-5-[(2-methylpropan-2-yl)oxy]pyridine;5-fluoro-8-[(2-methylpropan-2-yl)oxy]quinoline;4-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromene;4-[(2-methylpropan-2-yl)oxy]-1H-indazole;5-[(2-methylpropan-2-yl)oxy]isoquinoline;8-[(2-methylpropan-2-yl)oxy]isoquinoline;2-[(2-methylpropan-2-yl)oxy]pyridine;3-[(2-methylpropan-2-yl)oxy]pyridine;5-[(2-methylpropan-2-yl)oxy]pyrimidine;5-[(2-methylpropan-2-yl)oxy]quinoline;8-[(2-methylpropan-2-yl)oxy]quinoline;8-[(2-methylpropan-2-yl)oxy]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 2-chloro-6-fluoro-3-[(2-methylpropan-2-yl)oxy]pyridine;2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydrochromene;8-fluoro-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydrochromene;8-fluoro-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromene;3-fluoro-5-[(2-methylpropan-2-yl)oxy]pyridine;5-fluoro-8-[(2-methylpropan-2-yl)oxy]quinoline;4-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromene;4-[(2-methylpropan-2-yl)oxy]-1H-indazole;5-[(2-methylpropan-2-yl)oxy]isoquinoline;8-[(2-methylpropan-2-yl)oxy]isoquinoline;2-[(2-methylpropan-2-yl)oxy]pyridine;3-[(2-methylpropan-2-yl)oxy]pyridine;5-[(2-methylpropan-2-yl)oxy]pyrimidine;5-[(2-methylpropan-2-yl)oxy]quinoline;8-[(2-methylpropan-2-yl)oxy]quinoline;8-[(2-methylpropan-2-yl)oxy]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 2-chloro-6-fluoro-3-[(2-methylpropan-2-yl)oxy]pyridine;2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydrochromene;8-fluoro-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydrochromene;8-fluoro-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromene;3-fluoro-5-[(2-methylpropan-2-yl)oxy]pyridine;5-fluoro-8-[(2-methylpropan-2-yl)oxy]quinoline;4-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromene;4-[(2-methylpropan-2-yl)oxy]-1H-indazole;5-[(2-methylpropan-2-yl)oxy]isoquinoline;8-[(2-methylpropan-2-yl)oxy]isoquinoline;2-[(2-methylpropan-2-yl)oxy]pyridine;3-[(2-methylpropan-2-yl)oxy]pyridine;5-[(2-methylpropan-2-yl)oxy]pyrimidine;5-[(2-methylpropan-2-yl)oxy]quinoline;8-[(2-methylpropan-2-yl)oxy]quinoline;8-[(2-methylpropan-2-yl)oxy]-1,2,3,4-tetrahydroquinoline is CC(C)(C)OC1CC(C)(C)Oc2c(F)cccc21.CC(C)(C)OC1CC(C)(C)Oc2ccccc21.CC(C)(C)OC1CCOc2c(F)cccc21.CC(C)(C)OC1CCOc2ccccc21.CC(C)(C)Oc1ccc(F)c2cccnc12.CC(C)(C)Oc1ccc(F)nc1Cl.CC(C)(C)Oc1cccc2[nH]ncc12.CC(C)(C)Oc1cccc2c1NCCC2.CC(C)(C)Oc1cccc2cccnc12.CC(C)(C)Oc1cccc2ccncc12.CC(C)(C)Oc1cccc2cnccc12.CC(C)(C)Oc1cccc2ncccc12.CC(C)(C)Oc1ccccn1.CC(C)(C)Oc1cccnc1.CC(C)(C)Oc1cncc(F)c1.CC(C)(C)Oc1cncnc1.
What is the InChIKey of 2-chloro-6-fluoro-3-[(2-methylpropan-2-yl)oxy]pyridine;2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydrochromene;8-fluoro-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydrochromene;8-fluoro-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromene;3-fluoro-5-[(2-methylpropan-2-yl)oxy]pyridine;5-fluoro-8-[(2-methylpropan-2-yl)oxy]quinoline;4-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromene;4-[(2-methylpropan-2-yl)oxy]-1H-indazole;5-[(2-methylpropan-2-yl)oxy]isoquinoline;8-[(2-methylpropan-2-yl)oxy]isoquinoline;2-[(2-methylpropan-2-yl)oxy]pyridine;3-[(2-methylpropan-2-yl)oxy]pyridine;5-[(2-methylpropan-2-yl)oxy]pyrimidine;5-[(2-methylpropan-2-yl)oxy]quinoline;8-[(2-methylpropan-2-yl)oxy]quinoline;8-[(2-methylpropan-2-yl)oxy]-1,2,3,4-tetrahydroquinoline?
The InChIKey is NAKQZLZZLZIUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO2.C15H22O2.C13H14FNO.C13H17FO2.C13H15NO.C13H19NO.3C13H15NO.C13H18O2.C11H14N2O.C9H11ClFNO.C9H12FNO.2C9H13NO.C8H12N2O/c1-14(2,3)17-12-9-15(4,5)18-13-10(12)7-6-8-11(13)16;1-14(2,3)16-13-10-15(4,5)17-12-9-7-6-8-11(12)13;1-13(2,3)16-11-7-6-10(14)9-5-4-8-15-12(9)11;1-13(2,3)16-11-7-8-15-12-9(11)5-4-6-10(12)14;1-13(2,3)15-12-8-4-7-11-10(12)6-5-9-14-11;2*1-13(2,3)15-11-8-4-6-10-7-5-9-14-12(10)11;1-13(2,3)15-12-6-4-5-10-9-14-8-7-11(10)12;1-13(2,3)15-12-6-4-5-10-7-8-14-9-11(10)12;1-13(2,3)15-12-8-9-14-11-7-5-4-6-10(11)12;1-11(2,3)14-10-6-4-5-9-8(10)7-12-13-9;1-9(2,3)13-6-4-5-7(11)12-8(6)10;1-9(2,3)12-8-4-7(10)5-11-6-8;1-9(2,3)11-8-5-4-6-10-7-8;1-9(2,3)11-8-6-4-5-7-10-8;1-8(2,3)11-7-4-9-6-10-5-7/h6-8,12H,9H2,1-5H3;6-9,13H,10H2,1-5H3;4-8H,1-3H3;4-6,11H,7-8H2,1-3H3;4-9H,1-3H3;4,6,8,14H,5,7,9H2,1-3H3;3*4-9H,1-3H3;4-7,12H,8-9H2,1-3H3;4-7H,1-3H3,(H,12,13);4-5H,1-3H3;4-6H,1-3H3;2*4-7H,1-3H3;4-6H,1-3H3.
What are the key properties of 2-chloro-6-fluoro-3-[(2-methylpropan-2-yl)oxy]pyridine;2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydrochromene;8-fluoro-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydrochromene;8-fluoro-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromene;3-fluoro-5-[(2-methylpropan-2-yl)oxy]pyridine;5-fluoro-8-[(2-methylpropan-2-yl)oxy]quinoline;4-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromene;4-[(2-methylpropan-2-yl)oxy]-1H-indazole;5-[(2-methylpropan-2-yl)oxy]isoquinoline;8-[(2-methylpropan-2-yl)oxy]isoquinoline;2-[(2-methylpropan-2-yl)oxy]pyridine;3-[(2-methylpropan-2-yl)oxy]pyridine;5-[(2-methylpropan-2-yl)oxy]pyrimidine;5-[(2-methylpropan-2-yl)oxy]quinoline;8-[(2-methylpropan-2-yl)oxy]quinoline;8-[(2-methylpropan-2-yl)oxy]-1,2,3,4-tetrahydroquinoline?
2-chloro-6-fluoro-3-[(2-methylpropan-2-yl)oxy]pyridine;2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydrochromene;8-fluoro-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydrochromene;8-fluoro-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromene;3-fluoro-5-[(2-methylpropan-2-yl)oxy]pyridine;5-fluoro-8-[(2-methylpropan-2-yl)oxy]quinoline;4-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromene;4-[(2-methylpropan-2-yl)oxy]-1H-indazole;5-[(2-methylpropan-2-yl)oxy]isoquinoline;8-[(2-methylpropan-2-yl)oxy]isoquinoline;2-[(2-methylpropan-2-yl)oxy]pyridine;3-[(2-methylpropan-2-yl)oxy]pyridine;5-[(2-methylpropan-2-yl)oxy]pyrimidine;5-[(2-methylpropan-2-yl)oxy]quinoline;8-[(2-methylpropan-2-yl)oxy]quinoline;8-[(2-methylpropan-2-yl)oxy]-1,2,3,4-tetrahydroquinoline has a molecular weight of 3164.57 g/mol, XLogP of 49.92, 16 rotatable bonds, 2 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-3-[(2-methylpropan-2-yl)oxy]pyridine;2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydrochromene;8-fluoro-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydrochromene;8-fluoro-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromene;3-fluoro-5-[(2-methylpropan-2-yl)oxy]pyridine;5-fluoro-8-[(2-methylpropan-2-yl)oxy]quinoline;4-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromene;4-[(2-methylpropan-2-yl)oxy]-1H-indazole;5-[(2-methylpropan-2-yl)oxy]isoquinoline;8-[(2-methylpropan-2-yl)oxy]isoquinoline;2-[(2-methylpropan-2-yl)oxy]pyridine;3-[(2-methylpropan-2-yl)oxy]pyridine;5-[(2-methylpropan-2-yl)oxy]pyrimidine;5-[(2-methylpropan-2-yl)oxy]quinoline;8-[(2-methylpropan-2-yl)oxy]quinoline;8-[(2-methylpropan-2-yl)oxy]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 159724198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).