5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;5-methylsulfonyl-2-propan-2-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-3H-1,3-benzoxazol-2-one;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;3-propan-2-ylpyridazine;5-propan-2-ylpyridine-2-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine

C194H242FN27O15S5 — CID 161076108

IUPAC5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;5-methylsulfonyl-2-propan-2-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-3H-1,3-benzoxazol-2-one;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;3-propan-2-ylpyridazine;5-propan-2-ylpyridine-2-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
SMILESCC(=O)n1ccc2c(C(C)C)cccc21.CC(C)C1=CCc2ccccc21.CC(C)c1ccc(C(N)=O)nc1.CC(C)c1ccc(S(C)(=O)=O)cn1.CC(C)c1ccc(S(C)(=O)=O)nc1.CC(C)c1cccc2[nH]c(=O)oc12.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2cnccc12.CC(C)c1cccnn1.CC(C)c1ccnc2[nH]ccc12.CC(C)c1ccnc2c1ccn2C.CC(C)c1cnc2[nH]ccc2c1.CC(C)c1cnc2c(ccn2S(C)(=O)=O)c1.CC(C)c1cncc2ccccc12.CC(C)c1cnccc1CC(N)=O.CC(C)c1cnccc1CS(C)(=O)=O.CC(C)c1cnccc1S(C)(=O)=O.CC(C)c1ncc(C#N)cc1F.Cc1cc(C#N)cnc1C(C)C
InChIInChI=1S/C13H15NO.2C12H13N.C12H14.C11H14N2O2S.C11H14N2.C11H13N.C10H14N2O.3C10H12N2.C10H15NO2S.C10H11NO2.C9H9FN2.C9H12N2O.3C9H13NO2S.C7H10N2/c1-9(2)11-5-4-6-13-12(11)7-8-14(13)10(3)15;1-9(2)11-5-3-4-10-8-13-7-6-12(10)11;1-9(2)12-8-13-7-10-5-3-4-6-11(10)12;1-9(2)11-8-7-10-5-3-4-6-12(10)11;1-8(2)10-6-9-4-5-13(16(3,14)15)11(9)12-7-10;1-8(2)9-4-6-12-11-10(9)5-7-13(11)3;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-7(2)9-6-12-4-3-8(9)5-10(11)13;1-7(2)8-3-5-11-10-9(8)4-6-12-10;1-7(2)9-5-8-3-4-11-10(8)12-6-9;1-7(2)10-8(3)4-9(5-11)6-12-10;1-8(2)10-6-11-5-4-9(10)7-14(3,12)13;1-6(2)7-4-3-5-8-9(7)13-10(12)11-8;1-6(2)9-8(10)3-7(4-11)5-12-9;1-6(2)7-3-4-8(9(10)12)11-5-7;1-7(2)8-6-10-5-4-9(8)13(3,11)12;1-7(2)9-5-4-8(6-10-9)13(3,11)12;1-7(2)8-4-5-9(10-6-8)13(3,11)12;1-6(2)7-4-3-5-8-9-7/h4-9H,1-3H3;2*3-9H,1-2H3;3-6,8-9H,7H2,1-2H3;4-8H,1-3H3;4-8H,1-3H3;3-8,12H,1-2H3;3-4,6-7H,5H2,1-2H3,(H2,11,13);2*3-7H,1-2H3,(H,11,12);4,6-7H,1-3H3;4-6,8H,7H2,1-3H3;3-6H,1-2H3,(H,11,12);3,5-6H,1-2H3;3-6H,1-2H3,(H2,10,12);3*4-7H,1-3H3;3-6H,1-2H3
InChIKeyUFHJDZRGZBIUEO-UHFFFAOYSA-N
MW3371.58 g/mol
LogP44.31
Rot. Bonds28

About 5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;5-methylsulfonyl-2-propan-2-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-3H-1,3-benzoxazol-2-one;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;3-propan-2-ylpyridazine;5-propan-2-ylpyridine-2-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine

5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;5-methylsulfonyl-2-propan-2-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-3H-1,3-benzoxazol-2-one;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;3-propan-2-ylpyridazine;5-propan-2-ylpyridine-2-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 161076108) has the molecular formula C194H242FN27O15S5 and a molecular weight of 3371.58 g/mol. Its IUPAC name is 5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;5-methylsulfonyl-2-propan-2-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-3H-1,3-benzoxazol-2-one;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;3-propan-2-ylpyridazine;5-propan-2-ylpyridine-2-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;5-methylsulfonyl-2-propan-2-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-3H-1,3-benzoxazol-2-one;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;3-propan-2-ylpyridazine;5-propan-2-ylpyridine-2-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
PubChem CID161076108
Molecular FormulaC194H242FN27O15S5
Molecular Weight3371.58 g/mol
Exact Mass3368.76
IUPAC Name5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;5-methylsulfonyl-2-propan-2-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-3H-1,3-benzoxazol-2-one;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;3-propan-2-ylpyridazine;5-propan-2-ylpyridine-2-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
SMILESCC(=O)n1ccc2c(C(C)C)cccc21.CC(C)C1=CCc2ccccc21.CC(C)c1ccc(C(N)=O)nc1.CC(C)c1ccc(S(C)(=O)=O)cn1.CC(C)c1ccc(S(C)(=O)=O)nc1.CC(C)c1cccc2[nH]c(=O)oc12.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2cnccc12.CC(C)c1cccnn1.CC(C)c1ccnc2[nH]ccc12.CC(C)c1ccnc2c1ccn2C.CC(C)c1cnc2[nH]ccc2c1.CC(C)c1cnc2c(ccn2S(C)(=O)=O)c1.CC(C)c1cncc2ccccc12.CC(C)c1cnccc1CC(N)=O.CC(C)c1cnccc1CS(C)(=O)=O.CC(C)c1cnccc1S(C)(=O)=O.CC(C)c1ncc(C#N)cc1F.Cc1cc(C#N)cnc1C(C)C
InChIInChI=1S/C13H15NO.2C12H13N.C12H14.C11H14N2O2S.C11H14N2.C11H13N.C10H14N2O.3C10H12N2.C10H15NO2S.C10H11NO2.C9H9FN2.C9H12N2O.3C9H13NO2S.C7H10N2/c1-9(2)11-5-4-6-13-12(11)7-8-14(13)10(3)15;1-9(2)11-5-3-4-10-8-13-7-6-12(10)11;1-9(2)12-8-13-7-10-5-3-4-6-11(10)12;1-9(2)11-8-7-10-5-3-4-6-12(10)11;1-8(2)10-6-9-4-5-13(16(3,14)15)11(9)12-7-10;1-8(2)9-4-6-12-11-10(9)5-7-13(11)3;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-7(2)9-6-12-4-3-8(9)5-10(11)13;1-7(2)8-3-5-11-10-9(8)4-6-12-10;1-7(2)9-5-8-3-4-11-10(8)12-6-9;1-7(2)10-8(3)4-9(5-11)6-12-10;1-8(2)10-6-11-5-4-9(10)7-14(3,12)13;1-6(2)7-4-3-5-8-9(7)13-10(12)11-8;1-6(2)9-8(10)3-7(4-11)5-12-9;1-6(2)7-3-4-8(9(10)12)11-5-7;1-7(2)8-6-10-5-4-9(8)13(3,11)12;1-7(2)9-5-4-8(6-10-9)13(3,11)12;1-7(2)8-4-5-9(10-6-8)13(3,11)12;1-6(2)7-4-3-5-8-9-7/h4-9H,1-3H3;2*3-9H,1-2H3;3-6,8-9H,7H2,1-2H3;4-8H,1-3H3;4-8H,1-3H3;3-8,12H,1-2H3;3-4,6-7H,5H2,1-2H3,(H2,11,13);2*3-7H,1-2H3,(H,11,12);4,6-7H,1-3H3;4-6,8H,7H2,1-3H3;3-6H,1-2H3,(H,11,12);3,5-6H,1-2H3;3-6H,1-2H3,(H2,10,12);3*4-7H,1-3H3;3-6H,1-2H3
InChIKeyUFHJDZRGZBIUEO-UHFFFAOYSA-N
XLogP44.31
TPSA635.93 Ų
H-Bond Donors6
H-Bond Acceptors36
Rotatable Bonds28
Heavy Atoms242
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003371.58
LogP ≤ 544.31
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1036

Analyze 5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;5-methylsulfonyl-2-propan-2-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-3H-1,3-benzoxazol-2-one;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;3-propan-2-ylpyridazine;5-propan-2-ylpyridine-2-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine with MolForge

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Launch Full Analysis

Related Compounds

3,5-dimethyl-4-(5-propan-2-ylpyrimidin-2-yl)-1,2-oxazole;2-(3,5-dimethylpyrazol-1-yl)-5-propan-2-ylpyrimidine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;5-methylsulfonyl-2-propan-2-ylpyridine;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;4-propan-2-ylisoquinoline;3-propan-2-ylpyridazine;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyridine-2-carboxamide;6-propan-2-ylpyridine-3-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;2-propan-2-yl-5-(trifluoromethoxy)pyridine
CID 157147340
CID 158162477
CID 158162477
3,5-dimethyl-4-(5-propan-2-ylpyrimidin-2-yl)-1,2-oxazole;2-(3,5-dimethylpyrazol-1-yl)-5-propan-2-ylpyrimidine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;3-propan-2-ylpyridazine;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyridine-2-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
CID 159817162
5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;5-methylsulfonyl-2-propan-2-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-1,3-benzoxazol-2-one;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;3-propan-2-ylpyridazine;6-propan-2-ylpyridine-3-carboxamide;2-(3-propan-2-yl-4-pyridinyl)propanamide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
CID 157578514
5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;5-methylsulfonyl-2-propan-2-ylpyridine;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;3-propan-2-ylpyridazine;5-propan-2-ylpyridine-2-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide
CID 159517772
5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-1,3-benzoxazol-2-one;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;3-propan-2-ylpyridazine;5-propan-2-ylpyridine-2-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;4-(5-propan-2-yl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
CID 159936389
5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;3-propan-2-ylpyridazine;5-propan-2-ylpyridine-2-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
CID 160438197

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;5-methylsulfonyl-2-propan-2-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-3H-1,3-benzoxazol-2-one;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;3-propan-2-ylpyridazine;5-propan-2-ylpyridine-2-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;5-methylsulfonyl-2-propan-2-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-3H-1,3-benzoxazol-2-one;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;3-propan-2-ylpyridazine;5-propan-2-ylpyridine-2-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine (CID 161076108) is 5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;5-methylsulfonyl-2-propan-2-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-3H-1,3-benzoxazol-2-one;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;3-propan-2-ylpyridazine;5-propan-2-ylpyridine-2-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;5-methylsulfonyl-2-propan-2-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-3H-1,3-benzoxazol-2-one;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;3-propan-2-ylpyridazine;5-propan-2-ylpyridine-2-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;5-methylsulfonyl-2-propan-2-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-3H-1,3-benzoxazol-2-one;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;3-propan-2-ylpyridazine;5-propan-2-ylpyridine-2-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine is CC(=O)n1ccc2c(C(C)C)cccc21.CC(C)C1=CCc2ccccc21.CC(C)c1ccc(C(N)=O)nc1.CC(C)c1ccc(S(C)(=O)=O)cn1.CC(C)c1ccc(S(C)(=O)=O)nc1.CC(C)c1cccc2[nH]c(=O)oc12.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2cnccc12.CC(C)c1cccnn1.CC(C)c1ccnc2[nH]ccc12.CC(C)c1ccnc2c1ccn2C.CC(C)c1cnc2[nH]ccc2c1.CC(C)c1cnc2c(ccn2S(C)(=O)=O)c1.CC(C)c1cncc2ccccc12.CC(C)c1cnccc1CC(N)=O.CC(C)c1cnccc1CS(C)(=O)=O.CC(C)c1cnccc1S(C)(=O)=O.CC(C)c1ncc(C#N)cc1F.Cc1cc(C#N)cnc1C(C)C.
What is the InChIKey of 5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;5-methylsulfonyl-2-propan-2-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-3H-1,3-benzoxazol-2-one;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;3-propan-2-ylpyridazine;5-propan-2-ylpyridine-2-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is UFHJDZRGZBIUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO.2C12H13N.C12H14.C11H14N2O2S.C11H14N2.C11H13N.C10H14N2O.3C10H12N2.C10H15NO2S.C10H11NO2.C9H9FN2.C9H12N2O.3C9H13NO2S.C7H10N2/c1-9(2)11-5-4-6-13-12(11)7-8-14(13)10(3)15;1-9(2)11-5-3-4-10-8-13-7-6-12(10)11;1-9(2)12-8-13-7-10-5-3-4-6-11(10)12;1-9(2)11-8-7-10-5-3-4-6-12(10)11;1-8(2)10-6-9-4-5-13(16(3,14)15)11(9)12-7-10;1-8(2)9-4-6-12-11-10(9)5-7-13(11)3;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-7(2)9-6-12-4-3-8(9)5-10(11)13;1-7(2)8-3-5-11-10-9(8)4-6-12-10;1-7(2)9-5-8-3-4-11-10(8)12-6-9;1-7(2)10-8(3)4-9(5-11)6-12-10;1-8(2)10-6-11-5-4-9(10)7-14(3,12)13;1-6(2)7-4-3-5-8-9(7)13-10(12)11-8;1-6(2)9-8(10)3-7(4-11)5-12-9;1-6(2)7-3-4-8(9(10)12)11-5-7;1-7(2)8-6-10-5-4-9(8)13(3,11)12;1-7(2)9-5-4-8(6-10-9)13(3,11)12;1-7(2)8-4-5-9(10-6-8)13(3,11)12;1-6(2)7-4-3-5-8-9-7/h4-9H,1-3H3;2*3-9H,1-2H3;3-6,8-9H,7H2,1-2H3;4-8H,1-3H3;4-8H,1-3H3;3-8,12H,1-2H3;3-4,6-7H,5H2,1-2H3,(H2,11,13);2*3-7H,1-2H3,(H,11,12);4,6-7H,1-3H3;4-6,8H,7H2,1-3H3;3-6H,1-2H3,(H,11,12);3,5-6H,1-2H3;3-6H,1-2H3,(H2,10,12);3*4-7H,1-3H3;3-6H,1-2H3.
What are the key properties of 5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;5-methylsulfonyl-2-propan-2-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-3H-1,3-benzoxazol-2-one;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;3-propan-2-ylpyridazine;5-propan-2-ylpyridine-2-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine?
5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;5-methylsulfonyl-2-propan-2-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-3H-1,3-benzoxazol-2-one;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;3-propan-2-ylpyridazine;5-propan-2-ylpyridine-2-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 3371.58 g/mol, XLogP of 44.31, 28 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;5-methylsulfonyl-2-propan-2-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-3H-1,3-benzoxazol-2-one;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;3-propan-2-ylpyridazine;5-propan-2-ylpyridine-2-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 161076108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).