2-(2,2-difluoropropoxy)-4-propan-2-ylpyridine;2,3-dimethyl-4-propan-2-ylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;2-ethoxy-4-propan-2-ylpyridine;3-fluoro-2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;1-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;(2S)-1-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;(2R)-1-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;4-propan-2-yl-1H-pyridin-2-one;4-[(4-propan-2-yl-2-pyridinyl)methyl]morpholine;4-propan-2-ylpyrimidine;3-(4-propan-2-ylpyrimidin-2-yl)oxypropane-1,2-diol;4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine

C162H246F3N21O13 — CID 159650839

IUPAC2-(2,2-difluoropropoxy)-4-propan-2-ylpyridine;2,3-dimethyl-4-propan-2-ylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;2-ethoxy-4-propan-2-ylpyridine;3-fluoro-2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;1-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;(2S)-1-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;(2R)-1-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;4-propan-2-yl-1H-pyridin-2-one;4-[(4-propan-2-yl-2-pyridinyl)methyl]morpholine;4-propan-2-ylpyrimidine;3-(4-propan-2-ylpyrimidin-2-yl)oxypropane-1,2-diol;4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine
SMILESCC(C)c1cc[nH]c(=O)c1.CC(C)c1ccnc(CN2CCCC2)c1.CC(C)c1ccnc(CN2CCCCC2)n1.CC(C)c1ccnc(CN2CCOCC2)c1.CC(C)c1ccnc(OCC(C)(F)F)c1.CC(C)c1ccnc(OCC(O)CO)n1.CC(C)c1ccncn1.CCC(O)COc1cc(C(C)C)cc(C)n1.CCOc1cc(C(C)C)ccn1.CC[C@@H](O)COc1cc(C(C)C)cc(C)n1.CC[C@H](O)COc1cc(C(C)C)cc(C)n1.Cc1cc(C(C)C)cc(C)n1.Cc1cc(C(C)C)ccn1.Cc1nccc(C(C)C)c1C.Cc1nccc(C(C)C)c1F
InChIInChI=1S/C13H21N3.C13H20N2O.C13H20N2.3C13H21NO2.C11H15F2NO.C10H16N2O3.C10H15NO.2C10H15N.C9H12FN.C9H13N.C8H11NO.C7H10N2/c1-11(2)12-6-7-14-13(15-12)10-16-8-4-3-5-9-16;1-11(2)12-3-4-14-13(9-12)10-15-5-7-16-8-6-15;1-11(2)12-5-6-14-13(9-12)10-15-7-3-4-8-15;3*1-5-12(15)8-16-13-7-11(9(2)3)6-10(4)14-13;1-8(2)9-4-5-14-10(6-9)15-7-11(3,12)13;1-7(2)9-3-4-11-10(12-9)15-6-8(14)5-13;1-4-12-10-7-9(8(2)3)5-6-11-10;1-7(2)10-5-8(3)11-9(4)6-10;1-7(2)10-5-6-11-9(4)8(10)3;1-6(2)8-4-5-11-7(3)9(8)10;1-7(2)9-4-5-10-8(3)6-9;1-6(2)7-3-4-9-8(10)5-7;1-6(2)7-3-4-8-5-9-7/h6-7,11H,3-5,8-10H2,1-2H3;3-4,9,11H,5-8,10H2,1-2H3;5-6,9,11H,3-4,7-8,10H2,1-2H3;3*6-7,9,12,15H,5,8H2,1-4H3;4-6,8H,7H2,1-3H3;3-4,7-8,13-14H,5-6H2,1-2H3;5-8H,4H2,1-3H3;2*5-7H,1-4H3;4-6H,1-3H3;4-7H,1-3H3;3-6H,1-2H3,(H,9,10);3-6H,1-2H3/t;;;2*12-;;;;;;;;;;/m...10........../s1
InChIKeyMRNWZJYQOCBWLC-SUCMBNNQSA-N
MW2752.88 g/mol
LogP35.50
Rot. Bonds42

About 2-(2,2-difluoropropoxy)-4-propan-2-ylpyridine;2,3-dimethyl-4-propan-2-ylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;2-ethoxy-4-propan-2-ylpyridine;3-fluoro-2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;1-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;(2S)-1-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;(2R)-1-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;4-propan-2-yl-1H-pyridin-2-one;4-[(4-propan-2-yl-2-pyridinyl)methyl]morpholine;4-propan-2-ylpyrimidine;3-(4-propan-2-ylpyrimidin-2-yl)oxypropane-1,2-diol;4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine

2-(2,2-difluoropropoxy)-4-propan-2-ylpyridine;2,3-dimethyl-4-propan-2-ylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;2-ethoxy-4-propan-2-ylpyridine;3-fluoro-2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;1-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;(2S)-1-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;(2R)-1-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;4-propan-2-yl-1H-pyridin-2-one;4-[(4-propan-2-yl-2-pyridinyl)methyl]morpholine;4-propan-2-ylpyrimidine;3-(4-propan-2-ylpyrimidin-2-yl)oxypropane-1,2-diol;4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine (PubChem CID 159650839) has the molecular formula C162H246F3N21O13 and a molecular weight of 2752.88 g/mol. Its IUPAC name is 2-(2,2-difluoropropoxy)-4-propan-2-ylpyridine;2,3-dimethyl-4-propan-2-ylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;2-ethoxy-4-propan-2-ylpyridine;3-fluoro-2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;1-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;(2S)-1-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;(2R)-1-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;4-propan-2-yl-1H-pyridin-2-one;4-[(4-propan-2-yl-2-pyridinyl)methyl]morpholine;4-propan-2-ylpyrimidine;3-(4-propan-2-ylpyrimidin-2-yl)oxypropane-1,2-diol;4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine.

Molecular Properties

Compound Name2-(2,2-difluoropropoxy)-4-propan-2-ylpyridine;2,3-dimethyl-4-propan-2-ylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;2-ethoxy-4-propan-2-ylpyridine;3-fluoro-2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;1-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;(2S)-1-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;(2R)-1-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;4-propan-2-yl-1H-pyridin-2-one;4-[(4-propan-2-yl-2-pyridinyl)methyl]morpholine;4-propan-2-ylpyrimidine;3-(4-propan-2-ylpyrimidin-2-yl)oxypropane-1,2-diol;4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine
PubChem CID159650839
Molecular FormulaC162H246F3N21O13
Molecular Weight2752.88 g/mol
Exact Mass2750.92
IUPAC Name2-(2,2-difluoropropoxy)-4-propan-2-ylpyridine;2,3-dimethyl-4-propan-2-ylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;2-ethoxy-4-propan-2-ylpyridine;3-fluoro-2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;1-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;(2S)-1-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;(2R)-1-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;4-propan-2-yl-1H-pyridin-2-one;4-[(4-propan-2-yl-2-pyridinyl)methyl]morpholine;4-propan-2-ylpyrimidine;3-(4-propan-2-ylpyrimidin-2-yl)oxypropane-1,2-diol;4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine
SMILESCC(C)c1cc[nH]c(=O)c1.CC(C)c1ccnc(CN2CCCC2)c1.CC(C)c1ccnc(CN2CCCCC2)n1.CC(C)c1ccnc(CN2CCOCC2)c1.CC(C)c1ccnc(OCC(C)(F)F)c1.CC(C)c1ccnc(OCC(O)CO)n1.CC(C)c1ccncn1.CCC(O)COc1cc(C(C)C)cc(C)n1.CCOc1cc(C(C)C)ccn1.CC[C@@H](O)COc1cc(C(C)C)cc(C)n1.CC[C@H](O)COc1cc(C(C)C)cc(C)n1.Cc1cc(C(C)C)cc(C)n1.Cc1cc(C(C)C)ccn1.Cc1nccc(C(C)C)c1C.Cc1nccc(C(C)C)c1F
InChIInChI=1S/C13H21N3.C13H20N2O.C13H20N2.3C13H21NO2.C11H15F2NO.C10H16N2O3.C10H15NO.2C10H15N.C9H12FN.C9H13N.C8H11NO.C7H10N2/c1-11(2)12-6-7-14-13(15-12)10-16-8-4-3-5-9-16;1-11(2)12-3-4-14-13(9-12)10-15-5-7-16-8-6-15;1-11(2)12-5-6-14-13(9-12)10-15-7-3-4-8-15;3*1-5-12(15)8-16-13-7-11(9(2)3)6-10(4)14-13;1-8(2)9-4-5-14-10(6-9)15-7-11(3,12)13;1-7(2)9-3-4-11-10(12-9)15-6-8(14)5-13;1-4-12-10-7-9(8(2)3)5-6-11-10;1-7(2)10-5-8(3)11-9(4)6-10;1-7(2)10-5-6-11-9(4)8(10)3;1-6(2)8-4-5-11-7(3)9(8)10;1-7(2)9-4-5-10-8(3)6-9;1-6(2)7-3-4-9-8(10)5-7;1-6(2)7-3-4-8-5-9-7/h6-7,11H,3-5,8-10H2,1-2H3;3-4,9,11H,5-8,10H2,1-2H3;5-6,9,11H,3-4,7-8,10H2,1-2H3;3*6-7,9,12,15H,5,8H2,1-4H3;4-6,8H,7H2,1-3H3;3-4,7-8,13-14H,5-6H2,1-2H3;5-8H,4H2,1-3H3;2*5-7H,1-4H3;4-6H,1-3H3;4-7H,1-3H3;3-6H,1-2H3,(H,9,10);3-6H,1-2H3/t;;;2*12-;;;;;;;;;;/m...10........../s1
InChIKeyMRNWZJYQOCBWLC-SUCMBNNQSA-N
XLogP35.50
TPSA427.47 Ų
H-Bond Donors6
H-Bond Acceptors33
Rotatable Bonds42
Heavy Atoms199
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002752.88
LogP ≤ 535.50
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1033

Analyze 2-(2,2-difluoropropoxy)-4-propan-2-ylpyridine;2,3-dimethyl-4-propan-2-ylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;2-ethoxy-4-propan-2-ylpyridine;3-fluoro-2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;1-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;(2S)-1-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;(2R)-1-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;4-propan-2-yl-1H-pyridin-2-one;4-[(4-propan-2-yl-2-pyridinyl)methyl]morpholine;4-propan-2-ylpyrimidine;3-(4-propan-2-ylpyrimidin-2-yl)oxypropane-1,2-diol;4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[5-[[6-[6-Amino-4-(trifluoromethyl)pyridin-3-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]pyridin-2-yl]oxypiperidin-1-yl]ethanone
CID 59507969
6-[2-[[6-[[4-[1-[5-(6-Amino-2-methylpyrimidin-4-yl)-6-[(6-methoxy-5-methyl-3-pyridinyl)amino]-3-pyridinyl]ethyl]morpholin-2-yl]methoxy]-5-fluoro-3-pyridinyl]amino]-5-(1-morpholin-4-ylethyl)-3-pyridinyl]-2-methylpyrimidin-4-amine
CID 91193866
4-[5-[1-(4-acetylpiperazin-1-yl)-2-hydroxy-3-[6-(trifluoromethyl)pyridin-2-yl]oxypropan-2-yl]-2-methylpyrimidin-4-yl]-N-(2,6-difluorophenyl)piperidine-1-carboxamide
CID 118378000
N-(2,6-difluorophenyl)-4-[5-[2-hydroxy-1-(3-hydroxypropanoylamino)-3-[6-(trifluoromethyl)pyridin-2-yl]oxypropan-2-yl]-2-methylpyrimidin-4-yl]piperidine-1-carboxamide
CID 118378011
4-[5-[1-(3-acetamidopropanoylamino)-2-hydroxy-3-[6-(trifluoromethyl)pyridin-2-yl]oxypropan-2-yl]-2-methylpyrimidin-4-yl]-N-(2,6-difluorophenyl)piperidine-1-carboxamide
CID 118378036
4-[5-[1-(2-acetamidopropanoylamino)-2-hydroxy-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-2-methylpyrimidin-4-yl]-N-(2,6-difluorophenyl)piperidine-1-carboxamide
CID 118378037
N-(2,6-difluorophenyl)-4-[5-[1-(ethylcarbamoylamino)-2-hydroxy-3-[6-(trifluoromethyl)pyridin-2-yl]oxypropan-2-yl]-2-methylpyrimidin-4-yl]piperidine-1-carboxamide
CID 118378052
4-[5-[1-acetamido-2-hydroxy-3-[6-(trifluoromethyl)pyridin-2-yl]oxypropan-2-yl]-2-methylpyrimidin-4-yl]-N-(2,6-difluorophenyl)piperidine-1-carboxamide
CID 118378066
4-[5-[1-[(1-acetylpiperidin-4-yl)amino]-2-[6-(trifluoromethyl)pyridin-2-yl]oxyethyl]-2-methylpyrimidin-4-yl]-N-(2,6-difluorophenyl)piperidine-1-carboxamide
CID 118378095
4-[5-[1-[(1-acetylpyrrolidin-3-yl)amino]-2-hydroxy-3-[6-(trifluoromethyl)pyridin-2-yl]oxypropan-2-yl]-2-methylpyrimidin-4-yl]-N-(2,6-difluorophenyl)piperidine-1-carboxamide
CID 118378182
4-[5-[1-(2-acetamidoethylamino)-2-hydroxy-3-[6-(trifluoromethyl)pyridin-2-yl]oxypropan-2-yl]-2-methylpyrimidin-4-yl]-N-(2,6-difluorophenyl)piperidine-1-carboxamide
CID 118378240
Tert-butyl 4-[5-[1-acetamido-2-hydroxy-3-[6-(trifluoromethyl)pyridin-2-yl]oxypropan-2-yl]-2-methylpyrimidin-4-yl]piperidine-1-carboxylate
CID 140688812

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoropropoxy)-4-propan-2-ylpyridine;2,3-dimethyl-4-propan-2-ylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;2-ethoxy-4-propan-2-ylpyridine;3-fluoro-2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;1-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;(2S)-1-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;(2R)-1-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;4-propan-2-yl-1H-pyridin-2-one;4-[(4-propan-2-yl-2-pyridinyl)methyl]morpholine;4-propan-2-ylpyrimidine;3-(4-propan-2-ylpyrimidin-2-yl)oxypropane-1,2-diol;4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine?
The IUPAC name of 2-(2,2-difluoropropoxy)-4-propan-2-ylpyridine;2,3-dimethyl-4-propan-2-ylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;2-ethoxy-4-propan-2-ylpyridine;3-fluoro-2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;1-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;(2S)-1-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;(2R)-1-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;4-propan-2-yl-1H-pyridin-2-one;4-[(4-propan-2-yl-2-pyridinyl)methyl]morpholine;4-propan-2-ylpyrimidine;3-(4-propan-2-ylpyrimidin-2-yl)oxypropane-1,2-diol;4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine (CID 159650839) is 2-(2,2-difluoropropoxy)-4-propan-2-ylpyridine;2,3-dimethyl-4-propan-2-ylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;2-ethoxy-4-propan-2-ylpyridine;3-fluoro-2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;1-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;(2S)-1-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;(2R)-1-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;4-propan-2-yl-1H-pyridin-2-one;4-[(4-propan-2-yl-2-pyridinyl)methyl]morpholine;4-propan-2-ylpyrimidine;3-(4-propan-2-ylpyrimidin-2-yl)oxypropane-1,2-diol;4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine.
What is the SMILES notation for 2-(2,2-difluoropropoxy)-4-propan-2-ylpyridine;2,3-dimethyl-4-propan-2-ylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;2-ethoxy-4-propan-2-ylpyridine;3-fluoro-2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;1-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;(2S)-1-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;(2R)-1-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;4-propan-2-yl-1H-pyridin-2-one;4-[(4-propan-2-yl-2-pyridinyl)methyl]morpholine;4-propan-2-ylpyrimidine;3-(4-propan-2-ylpyrimidin-2-yl)oxypropane-1,2-diol;4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine?
The canonical SMILES for 2-(2,2-difluoropropoxy)-4-propan-2-ylpyridine;2,3-dimethyl-4-propan-2-ylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;2-ethoxy-4-propan-2-ylpyridine;3-fluoro-2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;1-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;(2S)-1-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;(2R)-1-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;4-propan-2-yl-1H-pyridin-2-one;4-[(4-propan-2-yl-2-pyridinyl)methyl]morpholine;4-propan-2-ylpyrimidine;3-(4-propan-2-ylpyrimidin-2-yl)oxypropane-1,2-diol;4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine is CC(C)c1cc[nH]c(=O)c1.CC(C)c1ccnc(CN2CCCC2)c1.CC(C)c1ccnc(CN2CCCCC2)n1.CC(C)c1ccnc(CN2CCOCC2)c1.CC(C)c1ccnc(OCC(C)(F)F)c1.CC(C)c1ccnc(OCC(O)CO)n1.CC(C)c1ccncn1.CCC(O)COc1cc(C(C)C)cc(C)n1.CCOc1cc(C(C)C)ccn1.CC[C@@H](O)COc1cc(C(C)C)cc(C)n1.CC[C@H](O)COc1cc(C(C)C)cc(C)n1.Cc1cc(C(C)C)cc(C)n1.Cc1cc(C(C)C)ccn1.Cc1nccc(C(C)C)c1C.Cc1nccc(C(C)C)c1F.
What is the InChIKey of 2-(2,2-difluoropropoxy)-4-propan-2-ylpyridine;2,3-dimethyl-4-propan-2-ylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;2-ethoxy-4-propan-2-ylpyridine;3-fluoro-2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;1-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;(2S)-1-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;(2R)-1-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;4-propan-2-yl-1H-pyridin-2-one;4-[(4-propan-2-yl-2-pyridinyl)methyl]morpholine;4-propan-2-ylpyrimidine;3-(4-propan-2-ylpyrimidin-2-yl)oxypropane-1,2-diol;4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine?
The InChIKey is MRNWZJYQOCBWLC-SUCMBNNQSA-N. The full InChI is InChI=1S/C13H21N3.C13H20N2O.C13H20N2.3C13H21NO2.C11H15F2NO.C10H16N2O3.C10H15NO.2C10H15N.C9H12FN.C9H13N.C8H11NO.C7H10N2/c1-11(2)12-6-7-14-13(15-12)10-16-8-4-3-5-9-16;1-11(2)12-3-4-14-13(9-12)10-15-5-7-16-8-6-15;1-11(2)12-5-6-14-13(9-12)10-15-7-3-4-8-15;3*1-5-12(15)8-16-13-7-11(9(2)3)6-10(4)14-13;1-8(2)9-4-5-14-10(6-9)15-7-11(3,12)13;1-7(2)9-3-4-11-10(12-9)15-6-8(14)5-13;1-4-12-10-7-9(8(2)3)5-6-11-10;1-7(2)10-5-8(3)11-9(4)6-10;1-7(2)10-5-6-11-9(4)8(10)3;1-6(2)8-4-5-11-7(3)9(8)10;1-7(2)9-4-5-10-8(3)6-9;1-6(2)7-3-4-9-8(10)5-7;1-6(2)7-3-4-8-5-9-7/h6-7,11H,3-5,8-10H2,1-2H3;3-4,9,11H,5-8,10H2,1-2H3;5-6,9,11H,3-4,7-8,10H2,1-2H3;3*6-7,9,12,15H,5,8H2,1-4H3;4-6,8H,7H2,1-3H3;3-4,7-8,13-14H,5-6H2,1-2H3;5-8H,4H2,1-3H3;2*5-7H,1-4H3;4-6H,1-3H3;4-7H,1-3H3;3-6H,1-2H3,(H,9,10);3-6H,1-2H3/t;;;2*12-;;;;;;;;;;/m...10........../s1.
What are the key properties of 2-(2,2-difluoropropoxy)-4-propan-2-ylpyridine;2,3-dimethyl-4-propan-2-ylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;2-ethoxy-4-propan-2-ylpyridine;3-fluoro-2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;1-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;(2S)-1-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;(2R)-1-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;4-propan-2-yl-1H-pyridin-2-one;4-[(4-propan-2-yl-2-pyridinyl)methyl]morpholine;4-propan-2-ylpyrimidine;3-(4-propan-2-ylpyrimidin-2-yl)oxypropane-1,2-diol;4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine?
2-(2,2-difluoropropoxy)-4-propan-2-ylpyridine;2,3-dimethyl-4-propan-2-ylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;2-ethoxy-4-propan-2-ylpyridine;3-fluoro-2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;1-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;(2S)-1-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;(2R)-1-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;4-propan-2-yl-1H-pyridin-2-one;4-[(4-propan-2-yl-2-pyridinyl)methyl]morpholine;4-propan-2-ylpyrimidine;3-(4-propan-2-ylpyrimidin-2-yl)oxypropane-1,2-diol;4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine has a molecular weight of 2752.88 g/mol, XLogP of 35.50, 42 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoropropoxy)-4-propan-2-ylpyridine;2,3-dimethyl-4-propan-2-ylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;2-ethoxy-4-propan-2-ylpyridine;3-fluoro-2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;1-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;(2S)-1-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;(2R)-1-[(6-methyl-4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;4-propan-2-yl-1H-pyridin-2-one;4-[(4-propan-2-yl-2-pyridinyl)methyl]morpholine;4-propan-2-ylpyrimidine;3-(4-propan-2-ylpyrimidin-2-yl)oxypropane-1,2-diol;4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine is sourced from PubChem (CID 159650839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).