2-cyclopropyl-5-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-4-pyridinyl]pyridine;2-[1-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]pyridine;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-(4-fluorophenyl)-1,2-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-methylquinoline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-piperidin-1-ylpyridine;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-pyrazol-1-ylpyridine;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridazine;2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridine;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridine;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridine;2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyrimidine;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline

C160H205F25N18O13 — CID 158050389

IUPAC2-cyclopropyl-5-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-4-pyridinyl]pyridine;2-[1-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]pyridine;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-(4-fluorophenyl)-1,2-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-methylquinoline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-piperidin-1-ylpyridine;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-pyrazol-1-ylpyridine;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridazine;2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridine;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridine;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridine;2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyrimidine;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline
SMILESCC(C)(C)C(F)(F)OCc1cc(-c2ccc(C3CC3)nc2)ccn1.CC(C)(C)C(F)(F)OCc1cc(-c2ccc(F)cc2)on1.CC(C)(C)C(F)(F)OCc1ccc(-n2cccn2)nc1.CC(C)(C)C(F)(F)OCc1cccc2ncccc12.CC(C)(C)C(F)(F)OCc1ccccn1.CC(C)(C)C(F)(F)OCc1cccnc1.CC(C)(C)C(F)(F)OCc1cccnn1.CC(C)(C)C(F)(F)OCc1ccnc(N2CCCCC2)c1.CC(C)(C)C(F)(F)OCc1ccncc1.CC(C)(C)C(F)(F)OCc1ncccn1.CC(OC(F)(F)C(C)(C)C)c1ccccn1.Cc1cc(COC(F)(F)C(C)(C)C)c2ccccc2n1
InChIInChI=1S/C19H22F2N2O.C16H24F2N2O.C16H19F2NO.C15H16F3NO2.C15H17F2NO.C14H17F2N3O.C12H17F2NO.3C11H15F2NO.2C10H14F2N2O/c1-18(2,3)19(20,21)24-12-16-10-14(8-9-22-16)15-6-7-17(23-11-15)13-4-5-13;1-15(2,3)16(17,18)21-12-13-7-8-19-14(11-13)20-9-5-4-6-10-20;1-11-9-12(10-20-16(17,18)15(2,3)4)13-7-5-6-8-14(13)19-11;1-14(2,3)15(17,18)20-9-12-8-13(21-19-12)10-4-6-11(16)7-5-10;1-14(2,3)15(16,17)19-10-11-6-4-8-13-12(11)7-5-9-18-13;1-13(2,3)14(15,16)20-10-11-5-6-12(17-9-11)19-8-4-7-18-19;1-9(10-7-5-6-8-15-10)16-12(13,14)11(2,3)4;1-10(2,3)11(12,13)15-8-9-4-6-14-7-5-9;1-10(2,3)11(12,13)15-8-9-5-4-6-14-7-9;1-10(2,3)11(12,13)15-8-9-6-4-5-7-14-9;1-9(2,3)10(11,12)15-7-8-13-5-4-6-14-8;1-9(2,3)10(11,12)15-7-8-5-4-6-13-14-8/h6-11,13H,4-5,12H2,1-3H3;7-8,11H,4-6,9-10,12H2,1-3H3;5-9H,10H2,1-4H3;4-8H,9H2,1-3H3;4-9H,10H2,1-3H3;4-9H,10H2,1-3H3;5-9H,1-4H3;3*4-7H,8H2,1-3H3;2*4-6H,7H2,1-3H3
InChIKeyFJKHZHDQDYAQPH-UHFFFAOYSA-N
MW3063.46 g/mol
LogP45.33
Rot. Bonds41

About 2-cyclopropyl-5-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-4-pyridinyl]pyridine;2-[1-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]pyridine;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-(4-fluorophenyl)-1,2-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-methylquinoline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-piperidin-1-ylpyridine;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-pyrazol-1-ylpyridine;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridazine;2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridine;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridine;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridine;2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyrimidine;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline

2-cyclopropyl-5-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-4-pyridinyl]pyridine;2-[1-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]pyridine;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-(4-fluorophenyl)-1,2-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-methylquinoline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-piperidin-1-ylpyridine;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-pyrazol-1-ylpyridine;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridazine;2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridine;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridine;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridine;2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyrimidine;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline (PubChem CID 158050389) has the molecular formula C160H205F25N18O13 and a molecular weight of 3063.46 g/mol. Its IUPAC name is 2-cyclopropyl-5-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-4-pyridinyl]pyridine;2-[1-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]pyridine;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-(4-fluorophenyl)-1,2-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-methylquinoline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-piperidin-1-ylpyridine;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-pyrazol-1-ylpyridine;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridazine;2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridine;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridine;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridine;2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyrimidine;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline.

Molecular Properties

Compound Name2-cyclopropyl-5-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-4-pyridinyl]pyridine;2-[1-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]pyridine;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-(4-fluorophenyl)-1,2-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-methylquinoline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-piperidin-1-ylpyridine;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-pyrazol-1-ylpyridine;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridazine;2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridine;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridine;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridine;2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyrimidine;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline
PubChem CID158050389
Molecular FormulaC160H205F25N18O13
Molecular Weight3063.46 g/mol
Exact Mass3061.55
IUPAC Name2-cyclopropyl-5-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-4-pyridinyl]pyridine;2-[1-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]pyridine;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-(4-fluorophenyl)-1,2-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-methylquinoline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-piperidin-1-ylpyridine;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-pyrazol-1-ylpyridine;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridazine;2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridine;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridine;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridine;2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyrimidine;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline
SMILESCC(C)(C)C(F)(F)OCc1cc(-c2ccc(C3CC3)nc2)ccn1.CC(C)(C)C(F)(F)OCc1cc(-c2ccc(F)cc2)on1.CC(C)(C)C(F)(F)OCc1ccc(-n2cccn2)nc1.CC(C)(C)C(F)(F)OCc1cccc2ncccc12.CC(C)(C)C(F)(F)OCc1ccccn1.CC(C)(C)C(F)(F)OCc1cccnc1.CC(C)(C)C(F)(F)OCc1cccnn1.CC(C)(C)C(F)(F)OCc1ccnc(N2CCCCC2)c1.CC(C)(C)C(F)(F)OCc1ccncc1.CC(C)(C)C(F)(F)OCc1ncccn1.CC(OC(F)(F)C(C)(C)C)c1ccccn1.Cc1cc(COC(F)(F)C(C)(C)C)c2ccccc2n1
InChIInChI=1S/C19H22F2N2O.C16H24F2N2O.C16H19F2NO.C15H16F3NO2.C15H17F2NO.C14H17F2N3O.C12H17F2NO.3C11H15F2NO.2C10H14F2N2O/c1-18(2,3)19(20,21)24-12-16-10-14(8-9-22-16)15-6-7-17(23-11-15)13-4-5-13;1-15(2,3)16(17,18)21-12-13-7-8-19-14(11-13)20-9-5-4-6-10-20;1-11-9-12(10-20-16(17,18)15(2,3)4)13-7-5-6-8-14(13)19-11;1-14(2,3)15(17,18)20-9-12-8-13(21-19-12)10-4-6-11(16)7-5-10;1-14(2,3)15(16,17)19-10-11-6-4-8-13-12(11)7-5-9-18-13;1-13(2,3)14(15,16)20-10-11-5-6-12(17-9-11)19-8-4-7-18-19;1-9(10-7-5-6-8-15-10)16-12(13,14)11(2,3)4;1-10(2,3)11(12,13)15-8-9-4-6-14-7-5-9;1-10(2,3)11(12,13)15-8-9-5-4-6-14-7-9;1-10(2,3)11(12,13)15-8-9-6-4-5-7-14-9;1-9(2,3)10(11,12)15-7-8-13-5-4-6-14-8;1-9(2,3)10(11,12)15-7-8-5-4-6-13-14-8/h6-11,13H,4-5,12H2,1-3H3;7-8,11H,4-6,9-10,12H2,1-3H3;5-9H,10H2,1-4H3;4-8H,9H2,1-3H3;4-9H,10H2,1-3H3;4-9H,10H2,1-3H3;5-9H,1-4H3;3*4-7H,8H2,1-3H3;2*4-6H,7H2,1-3H3
InChIKeyFJKHZHDQDYAQPH-UHFFFAOYSA-N
XLogP45.33
TPSA338.31 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds41
Heavy Atoms216
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003063.46
LogP ≤ 545.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Analyze 2-cyclopropyl-5-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-4-pyridinyl]pyridine;2-[1-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]pyridine;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-(4-fluorophenyl)-1,2-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-methylquinoline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-piperidin-1-ylpyridine;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-pyrazol-1-ylpyridine;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridazine;2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridine;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridine;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridine;2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyrimidine;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[7-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(2-fluoro-4-methoxyphenyl)-7-[1-(2-methylpyrimidin-5-yl)propan-2-yl]quinolin-2-yl]ethanone;methane;1-[4-(1-methylpyrazol-4-yl)-7-[[(2S,6S)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1-methylpyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone
CID 159347712
1-[7-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(2-fluoro-4-methoxyphenyl)-7-[1-(2-methylpyrimidin-5-yl)propan-2-yl]quinolin-2-yl]ethanone;1-[4-(1-methylpyrazol-4-yl)-7-[[(2S,6S)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1-methylpyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone
CID 159870692
2-Cyclopropyl-5-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-4-pyridinyl]pyridine;2-[1-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]pyridine;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-(4-fluorophenyl)-1,2-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-methylquinoline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-piperidin-1-ylpyridine;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-pyrazol-1-ylpyridine;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridazine;2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridine;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridine;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridine;2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyrimidine;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;6-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoxaline
CID 161470190
2-Cyclopropyl-5-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-4-pyridinyl]pyridine;2-[1-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]pyridine;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-(4-fluorophenyl)-1,2-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-piperidin-1-ylpyridine;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-pyrazol-1-ylpyridine;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridazine;2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridine;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridine;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridine;2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyrimidine
CID 161692871
2-(1-Cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-7-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrido[2,3-d]pyrimidin-2-yl]-6-methylmorpholine
CID 177137157
(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-7-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrido[2,3-d]pyrimidin-2-yl]-6-methylmorpholine
CID 177137244
4-[5-(3,5-Dimethyl-1,2-oxazol-4-yl)-2-(1-methylpyrazol-4-yl)quinazolin-4-yl]-3-phenylmorpholine
CID 175773794

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-4-pyridinyl]pyridine;2-[1-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]pyridine;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-(4-fluorophenyl)-1,2-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-methylquinoline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-piperidin-1-ylpyridine;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-pyrazol-1-ylpyridine;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridazine;2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridine;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridine;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridine;2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyrimidine;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline?
The IUPAC name of 2-cyclopropyl-5-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-4-pyridinyl]pyridine;2-[1-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]pyridine;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-(4-fluorophenyl)-1,2-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-methylquinoline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-piperidin-1-ylpyridine;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-pyrazol-1-ylpyridine;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridazine;2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridine;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridine;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridine;2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyrimidine;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline (CID 158050389) is 2-cyclopropyl-5-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-4-pyridinyl]pyridine;2-[1-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]pyridine;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-(4-fluorophenyl)-1,2-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-methylquinoline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-piperidin-1-ylpyridine;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-pyrazol-1-ylpyridine;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridazine;2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridine;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridine;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridine;2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyrimidine;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline.
What is the SMILES notation for 2-cyclopropyl-5-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-4-pyridinyl]pyridine;2-[1-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]pyridine;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-(4-fluorophenyl)-1,2-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-methylquinoline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-piperidin-1-ylpyridine;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-pyrazol-1-ylpyridine;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridazine;2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridine;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridine;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridine;2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyrimidine;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline?
The canonical SMILES for 2-cyclopropyl-5-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-4-pyridinyl]pyridine;2-[1-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]pyridine;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-(4-fluorophenyl)-1,2-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-methylquinoline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-piperidin-1-ylpyridine;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-pyrazol-1-ylpyridine;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridazine;2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridine;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridine;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridine;2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyrimidine;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline is CC(C)(C)C(F)(F)OCc1cc(-c2ccc(C3CC3)nc2)ccn1.CC(C)(C)C(F)(F)OCc1cc(-c2ccc(F)cc2)on1.CC(C)(C)C(F)(F)OCc1ccc(-n2cccn2)nc1.CC(C)(C)C(F)(F)OCc1cccc2ncccc12.CC(C)(C)C(F)(F)OCc1ccccn1.CC(C)(C)C(F)(F)OCc1cccnc1.CC(C)(C)C(F)(F)OCc1cccnn1.CC(C)(C)C(F)(F)OCc1ccnc(N2CCCCC2)c1.CC(C)(C)C(F)(F)OCc1ccncc1.CC(C)(C)C(F)(F)OCc1ncccn1.CC(OC(F)(F)C(C)(C)C)c1ccccn1.Cc1cc(COC(F)(F)C(C)(C)C)c2ccccc2n1.
What is the InChIKey of 2-cyclopropyl-5-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-4-pyridinyl]pyridine;2-[1-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]pyridine;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-(4-fluorophenyl)-1,2-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-methylquinoline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-piperidin-1-ylpyridine;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-pyrazol-1-ylpyridine;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridazine;2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridine;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridine;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridine;2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyrimidine;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline?
The InChIKey is FJKHZHDQDYAQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O.C16H24F2N2O.C16H19F2NO.C15H16F3NO2.C15H17F2NO.C14H17F2N3O.C12H17F2NO.3C11H15F2NO.2C10H14F2N2O/c1-18(2,3)19(20,21)24-12-16-10-14(8-9-22-16)15-6-7-17(23-11-15)13-4-5-13;1-15(2,3)16(17,18)21-12-13-7-8-19-14(11-13)20-9-5-4-6-10-20;1-11-9-12(10-20-16(17,18)15(2,3)4)13-7-5-6-8-14(13)19-11;1-14(2,3)15(17,18)20-9-12-8-13(21-19-12)10-4-6-11(16)7-5-10;1-14(2,3)15(16,17)19-10-11-6-4-8-13-12(11)7-5-9-18-13;1-13(2,3)14(15,16)20-10-11-5-6-12(17-9-11)19-8-4-7-18-19;1-9(10-7-5-6-8-15-10)16-12(13,14)11(2,3)4;1-10(2,3)11(12,13)15-8-9-4-6-14-7-5-9;1-10(2,3)11(12,13)15-8-9-5-4-6-14-7-9;1-10(2,3)11(12,13)15-8-9-6-4-5-7-14-9;1-9(2,3)10(11,12)15-7-8-13-5-4-6-14-8;1-9(2,3)10(11,12)15-7-8-5-4-6-13-14-8/h6-11,13H,4-5,12H2,1-3H3;7-8,11H,4-6,9-10,12H2,1-3H3;5-9H,10H2,1-4H3;4-8H,9H2,1-3H3;4-9H,10H2,1-3H3;4-9H,10H2,1-3H3;5-9H,1-4H3;3*4-7H,8H2,1-3H3;2*4-6H,7H2,1-3H3.
What are the key properties of 2-cyclopropyl-5-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-4-pyridinyl]pyridine;2-[1-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]pyridine;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-(4-fluorophenyl)-1,2-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-methylquinoline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-piperidin-1-ylpyridine;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-pyrazol-1-ylpyridine;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridazine;2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridine;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridine;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridine;2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyrimidine;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline?
2-cyclopropyl-5-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-4-pyridinyl]pyridine;2-[1-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]pyridine;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-(4-fluorophenyl)-1,2-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-methylquinoline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-piperidin-1-ylpyridine;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-pyrazol-1-ylpyridine;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridazine;2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridine;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridine;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridine;2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyrimidine;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline has a molecular weight of 3063.46 g/mol, XLogP of 45.33, 41 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-4-pyridinyl]pyridine;2-[1-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]pyridine;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-(4-fluorophenyl)-1,2-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-methylquinoline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-piperidin-1-ylpyridine;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-pyrazol-1-ylpyridine;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridazine;2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridine;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridine;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyridine;2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]pyrimidine;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline is sourced from PubChem (CID 158050389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).