4-chloro-2-(2-methylpropyl)pyridine;(2R)-2-(3-methylbutyl)pyrrolidine;1-methyl-2-methylidene-5-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)-3H-isoindol-1-one;2-methyl-5-(2-methylpropyl)pyridine;5-methyl-2-(2-methylpropyl)pyridine;methyl 4-(2-methylpropyl)pyridine-2-carboxylate;2-methylpropylbenzene;3-(2-methylpropyl)cyclohexa-2,4-dien-1-one;2-methylpropylcyclohexane;5-(2-methylpropyl)-1,3-dihydroindol-2-one;4-(2-methylpropyl)-1H-indazole;3-(2-methylpropyl)-1H-pyridin-2-one;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-3-ol

C176H271ClN18O7S — CID 167677591

IUPAC4-chloro-2-(2-methylpropyl)pyridine;(2R)-2-(3-methylbutyl)pyrrolidine;1-methyl-2-methylidene-5-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)-3H-isoindol-1-one;2-methyl-5-(2-methylpropyl)pyridine;5-methyl-2-(2-methylpropyl)pyridine;methyl 4-(2-methylpropyl)pyridine-2-carboxylate;2-methylpropylbenzene;3-(2-methylpropyl)cyclohexa-2,4-dien-1-one;2-methylpropylcyclohexane;5-(2-methylpropyl)-1,3-dihydroindol-2-one;4-(2-methylpropyl)-1H-indazole;3-(2-methylpropyl)-1H-pyridin-2-one;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-3-ol
SMILESC=C1C=CC(CC(C)C)=CN1C.CC(C)CC1=CC(=O)CC=C1.CC(C)CC1CCCCC1.CC(C)CC[C@@H]1CCCN1.CC(C)Cc1cc(Cl)ccn1.CC(C)Cc1ccc2c(c1)CC(=O)N2.CC(C)Cc1ccc2c(c1)CN(C)C2=O.CC(C)Cc1ccc[nH]c1=O.CC(C)Cc1cccc2[nH]ncc12.CC(C)Cc1ccccc1.CC(C)Cc1ncccn1.CC(C)Cc1nccs1.CC(C)N1CCCC(O)C1.CC(C)N1CCCCC1.CC(C)N1CCc2cccnc21.COC(=O)c1cc(CC(C)C)ccn1.Cc1ccc(CC(C)C)cn1.Cc1ccc(CC(C)C)nc1
InChIInChI=1S/C13H17NO.C12H15NO.C11H14N2.C11H15NO2.C11H17N.C10H14N2.2C10H15N.C10H14O.C10H20.C10H14.C9H12ClN.C9H13NO.C9H19N.C8H12N2.C8H17NO.C8H17N.C7H11NS/c1-9(2)6-10-4-5-12-11(7-10)8-14(3)13(12)15;1-8(2)5-9-3-4-11-10(6-9)7-12(14)13-11;1-8(2)6-9-4-3-5-11-10(9)7-12-13-11;1-8(2)6-9-4-5-12-10(7-9)11(13)14-3;1-9(2)7-11-6-5-10(3)12(4)8-11;1-8(2)12-7-5-9-4-3-6-11-10(9)12;1-8(2)6-10-5-4-9(3)11-7-10;1-8(2)6-10-5-4-9(3)7-11-10;1-8(2)6-9-4-3-5-10(11)7-9;2*1-9(2)8-10-6-4-3-5-7-10;1-7(2)5-9-6-8(10)3-4-11-9;1-7(2)6-8-4-3-5-10-9(8)11;1-8(2)5-6-9-4-3-7-10-9;1-7(2)6-8-9-4-3-5-10-8;1-7(2)9-5-3-4-8(10)6-9;1-8(2)9-6-4-3-5-7-9;1-6(2)5-7-8-3-4-9-7/h4-5,7,9H,6,8H2,1-3H3;3-4,6,8H,5,7H2,1-2H3,(H,13,14);3-5,7-8H,6H2,1-2H3,(H,12,13);4-5,7-8H,6H2,1-3H3;5-6,8-9H,3,7H2,1-2,4H3;3-4,6,8H,5,7H2,1-2H3;2*4-5,7-8H,6H2,1-3H3;3-4,7-8H,5-6H2,1-2H3;9-10H,3-8H2,1-2H3;3-7,9H,8H2,1-2H3;3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3,(H,10,11);8-10H,3-7H2,1-2H3;3-5,7H,6H2,1-2H3;7-8,10H,3-6H2,1-2H3;8H,3-7H2,1-2H3;3-4,6H,5H2,1-2H3/t;;;;;;;;;;;;;9-;;;;/m.............0..../s1
InChIKeyVAXNSYHMRHQUKJ-LWOYIIQOSA-N
MW2818.74 g/mol
LogP42.06
Rot. Bonds35

About 4-chloro-2-(2-methylpropyl)pyridine;(2R)-2-(3-methylbutyl)pyrrolidine;1-methyl-2-methylidene-5-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)-3H-isoindol-1-one;2-methyl-5-(2-methylpropyl)pyridine;5-methyl-2-(2-methylpropyl)pyridine;methyl 4-(2-methylpropyl)pyridine-2-carboxylate;2-methylpropylbenzene;3-(2-methylpropyl)cyclohexa-2,4-dien-1-one;2-methylpropylcyclohexane;5-(2-methylpropyl)-1,3-dihydroindol-2-one;4-(2-methylpropyl)-1H-indazole;3-(2-methylpropyl)-1H-pyridin-2-one;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-3-ol

4-chloro-2-(2-methylpropyl)pyridine;(2R)-2-(3-methylbutyl)pyrrolidine;1-methyl-2-methylidene-5-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)-3H-isoindol-1-one;2-methyl-5-(2-methylpropyl)pyridine;5-methyl-2-(2-methylpropyl)pyridine;methyl 4-(2-methylpropyl)pyridine-2-carboxylate;2-methylpropylbenzene;3-(2-methylpropyl)cyclohexa-2,4-dien-1-one;2-methylpropylcyclohexane;5-(2-methylpropyl)-1,3-dihydroindol-2-one;4-(2-methylpropyl)-1H-indazole;3-(2-methylpropyl)-1H-pyridin-2-one;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-3-ol (PubChem CID 167677591) has the molecular formula C176H271ClN18O7S and a molecular weight of 2818.74 g/mol. Its IUPAC name is 4-chloro-2-(2-methylpropyl)pyridine;(2R)-2-(3-methylbutyl)pyrrolidine;1-methyl-2-methylidene-5-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)-3H-isoindol-1-one;2-methyl-5-(2-methylpropyl)pyridine;5-methyl-2-(2-methylpropyl)pyridine;methyl 4-(2-methylpropyl)pyridine-2-carboxylate;2-methylpropylbenzene;3-(2-methylpropyl)cyclohexa-2,4-dien-1-one;2-methylpropylcyclohexane;5-(2-methylpropyl)-1,3-dihydroindol-2-one;4-(2-methylpropyl)-1H-indazole;3-(2-methylpropyl)-1H-pyridin-2-one;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-3-ol.

Molecular Properties

Compound Name4-chloro-2-(2-methylpropyl)pyridine;(2R)-2-(3-methylbutyl)pyrrolidine;1-methyl-2-methylidene-5-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)-3H-isoindol-1-one;2-methyl-5-(2-methylpropyl)pyridine;5-methyl-2-(2-methylpropyl)pyridine;methyl 4-(2-methylpropyl)pyridine-2-carboxylate;2-methylpropylbenzene;3-(2-methylpropyl)cyclohexa-2,4-dien-1-one;2-methylpropylcyclohexane;5-(2-methylpropyl)-1,3-dihydroindol-2-one;4-(2-methylpropyl)-1H-indazole;3-(2-methylpropyl)-1H-pyridin-2-one;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-3-ol
PubChem CID167677591
Molecular FormulaC176H271ClN18O7S
Molecular Weight2818.74 g/mol
Exact Mass2816.08
IUPAC Name4-chloro-2-(2-methylpropyl)pyridine;(2R)-2-(3-methylbutyl)pyrrolidine;1-methyl-2-methylidene-5-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)-3H-isoindol-1-one;2-methyl-5-(2-methylpropyl)pyridine;5-methyl-2-(2-methylpropyl)pyridine;methyl 4-(2-methylpropyl)pyridine-2-carboxylate;2-methylpropylbenzene;3-(2-methylpropyl)cyclohexa-2,4-dien-1-one;2-methylpropylcyclohexane;5-(2-methylpropyl)-1,3-dihydroindol-2-one;4-(2-methylpropyl)-1H-indazole;3-(2-methylpropyl)-1H-pyridin-2-one;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-3-ol
SMILESC=C1C=CC(CC(C)C)=CN1C.CC(C)CC1=CC(=O)CC=C1.CC(C)CC1CCCCC1.CC(C)CC[C@@H]1CCCN1.CC(C)Cc1cc(Cl)ccn1.CC(C)Cc1ccc2c(c1)CC(=O)N2.CC(C)Cc1ccc2c(c1)CN(C)C2=O.CC(C)Cc1ccc[nH]c1=O.CC(C)Cc1cccc2[nH]ncc12.CC(C)Cc1ccccc1.CC(C)Cc1ncccn1.CC(C)Cc1nccs1.CC(C)N1CCCC(O)C1.CC(C)N1CCCCC1.CC(C)N1CCc2cccnc21.COC(=O)c1cc(CC(C)C)ccn1.Cc1ccc(CC(C)C)cn1.Cc1ccc(CC(C)C)nc1
InChIInChI=1S/C13H17NO.C12H15NO.C11H14N2.C11H15NO2.C11H17N.C10H14N2.2C10H15N.C10H14O.C10H20.C10H14.C9H12ClN.C9H13NO.C9H19N.C8H12N2.C8H17NO.C8H17N.C7H11NS/c1-9(2)6-10-4-5-12-11(7-10)8-14(3)13(12)15;1-8(2)5-9-3-4-11-10(6-9)7-12(14)13-11;1-8(2)6-9-4-3-5-11-10(9)7-12-13-11;1-8(2)6-9-4-5-12-10(7-9)11(13)14-3;1-9(2)7-11-6-5-10(3)12(4)8-11;1-8(2)12-7-5-9-4-3-6-11-10(9)12;1-8(2)6-10-5-4-9(3)11-7-10;1-8(2)6-10-5-4-9(3)7-11-10;1-8(2)6-9-4-3-5-10(11)7-9;2*1-9(2)8-10-6-4-3-5-7-10;1-7(2)5-9-6-8(10)3-4-11-9;1-7(2)6-8-4-3-5-10-9(8)11;1-8(2)5-6-9-4-3-7-10-9;1-7(2)6-8-9-4-3-5-10-8;1-7(2)9-5-3-4-8(10)6-9;1-8(2)9-6-4-3-5-7-9;1-6(2)5-7-8-3-4-9-7/h4-5,7,9H,6,8H2,1-3H3;3-4,6,8H,5,7H2,1-2H3,(H,13,14);3-5,7-8H,6H2,1-2H3,(H,12,13);4-5,7-8H,6H2,1-3H3;5-6,8-9H,3,7H2,1-2,4H3;3-4,6,8H,5,7H2,1-2H3;2*4-5,7-8H,6H2,1-3H3;3-4,7-8H,5-6H2,1-2H3;9-10H,3-8H2,1-2H3;3-7,9H,8H2,1-2H3;3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3,(H,10,11);8-10H,3-7H2,1-2H3;3-5,7H,6H2,1-2H3;7-8,10H,3-6H2,1-2H3;8H,3-7H2,1-2H3;3-4,6H,5H2,1-2H3/t;;;;;;;;;;;;;9-;;;;/m.............0..../s1
InChIKeyVAXNSYHMRHQUKJ-LWOYIIQOSA-N
XLogP42.06
TPSA302.66 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds35
Heavy Atoms203
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002818.74
LogP ≤ 542.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

Analyze 4-chloro-2-(2-methylpropyl)pyridine;(2R)-2-(3-methylbutyl)pyrrolidine;1-methyl-2-methylidene-5-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)-3H-isoindol-1-one;2-methyl-5-(2-methylpropyl)pyridine;5-methyl-2-(2-methylpropyl)pyridine;methyl 4-(2-methylpropyl)pyridine-2-carboxylate;2-methylpropylbenzene;3-(2-methylpropyl)cyclohexa-2,4-dien-1-one;2-methylpropylcyclohexane;5-(2-methylpropyl)-1,3-dihydroindol-2-one;4-(2-methylpropyl)-1H-indazole;3-(2-methylpropyl)-1H-pyridin-2-one;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-3-ol with MolForge

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Launch Full Analysis

Related Compounds

1-[2-[7-[[5-[(1Z)-2-cyclopropyl-3-(6-fluoro-5-methyl-1H-indazol-4-yl)buta-1,3-dienyl]-2-(2-methoxypropoxy)-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)pyrimidin-4-yl]methoxymethyl]-4-oxo-5H-pyrazolo[3,4-c]quinolin-2-yl]-3-methylbutanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 176976590
7-tert-butyl-1,3-benzoxazole;1-tert-butyl-5-chloropyridin-2-one;2-tert-butyl-5-chlorothiophene;2-tert-butylcyclohexa-2,4-dien-1-one;5-tert-butylisoquinoline;4-tert-butyl-5-methyl-1H-indazole;4-tert-butyl-5-methylpyrimidin-2-amine;5-tert-butyl-4-methylpyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)but-3-enamide;2-tert-butyl-5-methylthiophene;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;8-tert-butylquinazoline;4-tert-butylquinoline;5-tert-butylquinoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene
CID 159076998
N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylimidazol-4-yl)pyrazin-2-yl]-2-(2-oxopiperidin-1-yl)acetamide;N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(2-oxo-1-pyridinyl)pyrazin-2-yl]-2-(3-hydroxypyrrolidin-1-yl)acetamide;N-[3-amino-5-(5-methyl-1,3-thiazol-2-yl)-6-(1-oxo-2H-isoquinolin-6-yl)pyrazin-2-yl]-4-(methylamino)benzamide;ethyl 4-[2-[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]amino]-2-oxoethyl]benzoate
CID 160212040
[4-(2-benzylbenzimidazol-1-yl)piperidin-1-yl]-(4,6-dimethyl-1H-indol-2-yl)methanone;[2-carboxy-1-[(2-chloro-4-fluorophenyl)methyl]indol-3-yl]methyl-[3-(2-oxopyrrolidin-1-yl)propyl]azanium;1-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-N-pentylpiperidine-4-carboxamide;2-[2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone;(3R)-4-methyl-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)pentanamide;[4-[2-[(2-methylphenyl)methyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 162300950
4-(5-tert-butyl-7,8-dihydronaphthalen-2-yl)-1-methylpyrazole;8-tert-butylimidazo[1,2-a]pyridine-2-carboxylic acid;4-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one;4-tert-butyl-2-pyridin-3-yl-1H-benzimidazole;methyl 4-tert-butyl-1H-indole-6-carboxylate
CID 164971106
4-chloro-2-(2-methylpropyl)pyridine;(2R)-2-(3-methylbutyl)pyrrolidine;1-methyl-2-methylidene-5-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)-3H-isoindol-1-one;2-methyl-5-(2-methylpropyl)pyridine;5-methyl-2-(2-methylpropyl)pyridine;methyl 4-(2-methylpropyl)pyridine-2-carboxylate;2-methylpropylbenzene;3-(2-methylpropyl)cyclohexa-2,4-dien-1-one;2-methylpropylcyclohexane;4-(2-methylpropyl)-1H-indazole;3-(2-methylpropyl)-1H-pyridin-2-one;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-3-ol
CID 167626139
4-chloro-2-(2-methylpropyl)pyridine;(2R)-2-(3-methylbutyl)pyrrolidine;1-methyl-2-methylidene-5-(2-methylpropyl)pyridine;(1R,5S)-3-methyl-8-(2-methylpropyl)bicyclo[3.2.1]octane;2-methyl-5-(2-methylpropyl)-3H-isoindol-1-one;2-methyl-5-(2-methylpropyl)pyridine;5-methyl-2-(2-methylpropyl)pyridine;methyl 4-(2-methylpropyl)pyridine-2-carboxylate;2-methylpropylbenzene;2-methylpropylcyclohexane;5-(2-methylpropyl)-1,3-dihydroindol-2-one;4-(2-methylpropyl)-1H-indazole;3-(2-methylpropyl)-1H-pyridin-2-one;4-(2-methylpropyl)-1H-pyridin-2-one;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-3-ol
CID 167676688
4-chloro-2-(2-methylpropyl)pyridine;(2R)-2-(3-methylbutyl)pyrrolidine;2-methyl-5-(2-methylpropyl)-3H-isoindol-1-one;5-methyl-2-(2-methylpropyl)pyridine;2-methylpropylcyclohexane;5-(2-methylpropyl)-1,3-dihydroindol-2-one;4-(2-methylpropyl)-1H-indazole;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine
CID 167687400
1-[2-[7-[[5-[(1Z)-2-cyclopropyl-3-(6-fluoro-5-methyl-1H-indazol-4-yl)buta-1,3-dienyl]-2-(2-methoxypropoxy)-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)pyrimidin-4-yl]methoxymethyl]-4-oxo-5H-pyrazolo[3,4-c]quinolin-2-yl]-3-methylbutanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;methanol
CID 176976589

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-methylpropyl)pyridine;(2R)-2-(3-methylbutyl)pyrrolidine;1-methyl-2-methylidene-5-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)-3H-isoindol-1-one;2-methyl-5-(2-methylpropyl)pyridine;5-methyl-2-(2-methylpropyl)pyridine;methyl 4-(2-methylpropyl)pyridine-2-carboxylate;2-methylpropylbenzene;3-(2-methylpropyl)cyclohexa-2,4-dien-1-one;2-methylpropylcyclohexane;5-(2-methylpropyl)-1,3-dihydroindol-2-one;4-(2-methylpropyl)-1H-indazole;3-(2-methylpropyl)-1H-pyridin-2-one;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-3-ol?
The IUPAC name of 4-chloro-2-(2-methylpropyl)pyridine;(2R)-2-(3-methylbutyl)pyrrolidine;1-methyl-2-methylidene-5-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)-3H-isoindol-1-one;2-methyl-5-(2-methylpropyl)pyridine;5-methyl-2-(2-methylpropyl)pyridine;methyl 4-(2-methylpropyl)pyridine-2-carboxylate;2-methylpropylbenzene;3-(2-methylpropyl)cyclohexa-2,4-dien-1-one;2-methylpropylcyclohexane;5-(2-methylpropyl)-1,3-dihydroindol-2-one;4-(2-methylpropyl)-1H-indazole;3-(2-methylpropyl)-1H-pyridin-2-one;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-3-ol (CID 167677591) is 4-chloro-2-(2-methylpropyl)pyridine;(2R)-2-(3-methylbutyl)pyrrolidine;1-methyl-2-methylidene-5-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)-3H-isoindol-1-one;2-methyl-5-(2-methylpropyl)pyridine;5-methyl-2-(2-methylpropyl)pyridine;methyl 4-(2-methylpropyl)pyridine-2-carboxylate;2-methylpropylbenzene;3-(2-methylpropyl)cyclohexa-2,4-dien-1-one;2-methylpropylcyclohexane;5-(2-methylpropyl)-1,3-dihydroindol-2-one;4-(2-methylpropyl)-1H-indazole;3-(2-methylpropyl)-1H-pyridin-2-one;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-3-ol.
What is the SMILES notation for 4-chloro-2-(2-methylpropyl)pyridine;(2R)-2-(3-methylbutyl)pyrrolidine;1-methyl-2-methylidene-5-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)-3H-isoindol-1-one;2-methyl-5-(2-methylpropyl)pyridine;5-methyl-2-(2-methylpropyl)pyridine;methyl 4-(2-methylpropyl)pyridine-2-carboxylate;2-methylpropylbenzene;3-(2-methylpropyl)cyclohexa-2,4-dien-1-one;2-methylpropylcyclohexane;5-(2-methylpropyl)-1,3-dihydroindol-2-one;4-(2-methylpropyl)-1H-indazole;3-(2-methylpropyl)-1H-pyridin-2-one;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-3-ol?
The canonical SMILES for 4-chloro-2-(2-methylpropyl)pyridine;(2R)-2-(3-methylbutyl)pyrrolidine;1-methyl-2-methylidene-5-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)-3H-isoindol-1-one;2-methyl-5-(2-methylpropyl)pyridine;5-methyl-2-(2-methylpropyl)pyridine;methyl 4-(2-methylpropyl)pyridine-2-carboxylate;2-methylpropylbenzene;3-(2-methylpropyl)cyclohexa-2,4-dien-1-one;2-methylpropylcyclohexane;5-(2-methylpropyl)-1,3-dihydroindol-2-one;4-(2-methylpropyl)-1H-indazole;3-(2-methylpropyl)-1H-pyridin-2-one;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-3-ol is C=C1C=CC(CC(C)C)=CN1C.CC(C)CC1=CC(=O)CC=C1.CC(C)CC1CCCCC1.CC(C)CC[C@@H]1CCCN1.CC(C)Cc1cc(Cl)ccn1.CC(C)Cc1ccc2c(c1)CC(=O)N2.CC(C)Cc1ccc2c(c1)CN(C)C2=O.CC(C)Cc1ccc[nH]c1=O.CC(C)Cc1cccc2[nH]ncc12.CC(C)Cc1ccccc1.CC(C)Cc1ncccn1.CC(C)Cc1nccs1.CC(C)N1CCCC(O)C1.CC(C)N1CCCCC1.CC(C)N1CCc2cccnc21.COC(=O)c1cc(CC(C)C)ccn1.Cc1ccc(CC(C)C)cn1.Cc1ccc(CC(C)C)nc1.
What is the InChIKey of 4-chloro-2-(2-methylpropyl)pyridine;(2R)-2-(3-methylbutyl)pyrrolidine;1-methyl-2-methylidene-5-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)-3H-isoindol-1-one;2-methyl-5-(2-methylpropyl)pyridine;5-methyl-2-(2-methylpropyl)pyridine;methyl 4-(2-methylpropyl)pyridine-2-carboxylate;2-methylpropylbenzene;3-(2-methylpropyl)cyclohexa-2,4-dien-1-one;2-methylpropylcyclohexane;5-(2-methylpropyl)-1,3-dihydroindol-2-one;4-(2-methylpropyl)-1H-indazole;3-(2-methylpropyl)-1H-pyridin-2-one;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-3-ol?
The InChIKey is VAXNSYHMRHQUKJ-LWOYIIQOSA-N. The full InChI is InChI=1S/C13H17NO.C12H15NO.C11H14N2.C11H15NO2.C11H17N.C10H14N2.2C10H15N.C10H14O.C10H20.C10H14.C9H12ClN.C9H13NO.C9H19N.C8H12N2.C8H17NO.C8H17N.C7H11NS/c1-9(2)6-10-4-5-12-11(7-10)8-14(3)13(12)15;1-8(2)5-9-3-4-11-10(6-9)7-12(14)13-11;1-8(2)6-9-4-3-5-11-10(9)7-12-13-11;1-8(2)6-9-4-5-12-10(7-9)11(13)14-3;1-9(2)7-11-6-5-10(3)12(4)8-11;1-8(2)12-7-5-9-4-3-6-11-10(9)12;1-8(2)6-10-5-4-9(3)11-7-10;1-8(2)6-10-5-4-9(3)7-11-10;1-8(2)6-9-4-3-5-10(11)7-9;2*1-9(2)8-10-6-4-3-5-7-10;1-7(2)5-9-6-8(10)3-4-11-9;1-7(2)6-8-4-3-5-10-9(8)11;1-8(2)5-6-9-4-3-7-10-9;1-7(2)6-8-9-4-3-5-10-8;1-7(2)9-5-3-4-8(10)6-9;1-8(2)9-6-4-3-5-7-9;1-6(2)5-7-8-3-4-9-7/h4-5,7,9H,6,8H2,1-3H3;3-4,6,8H,5,7H2,1-2H3,(H,13,14);3-5,7-8H,6H2,1-2H3,(H,12,13);4-5,7-8H,6H2,1-3H3;5-6,8-9H,3,7H2,1-2,4H3;3-4,6,8H,5,7H2,1-2H3;2*4-5,7-8H,6H2,1-3H3;3-4,7-8H,5-6H2,1-2H3;9-10H,3-8H2,1-2H3;3-7,9H,8H2,1-2H3;3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3,(H,10,11);8-10H,3-7H2,1-2H3;3-5,7H,6H2,1-2H3;7-8,10H,3-6H2,1-2H3;8H,3-7H2,1-2H3;3-4,6H,5H2,1-2H3/t;;;;;;;;;;;;;9-;;;;/m.............0..../s1.
What are the key properties of 4-chloro-2-(2-methylpropyl)pyridine;(2R)-2-(3-methylbutyl)pyrrolidine;1-methyl-2-methylidene-5-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)-3H-isoindol-1-one;2-methyl-5-(2-methylpropyl)pyridine;5-methyl-2-(2-methylpropyl)pyridine;methyl 4-(2-methylpropyl)pyridine-2-carboxylate;2-methylpropylbenzene;3-(2-methylpropyl)cyclohexa-2,4-dien-1-one;2-methylpropylcyclohexane;5-(2-methylpropyl)-1,3-dihydroindol-2-one;4-(2-methylpropyl)-1H-indazole;3-(2-methylpropyl)-1H-pyridin-2-one;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-3-ol?
4-chloro-2-(2-methylpropyl)pyridine;(2R)-2-(3-methylbutyl)pyrrolidine;1-methyl-2-methylidene-5-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)-3H-isoindol-1-one;2-methyl-5-(2-methylpropyl)pyridine;5-methyl-2-(2-methylpropyl)pyridine;methyl 4-(2-methylpropyl)pyridine-2-carboxylate;2-methylpropylbenzene;3-(2-methylpropyl)cyclohexa-2,4-dien-1-one;2-methylpropylcyclohexane;5-(2-methylpropyl)-1,3-dihydroindol-2-one;4-(2-methylpropyl)-1H-indazole;3-(2-methylpropyl)-1H-pyridin-2-one;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-3-ol has a molecular weight of 2818.74 g/mol, XLogP of 42.06, 35 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-methylpropyl)pyridine;(2R)-2-(3-methylbutyl)pyrrolidine;1-methyl-2-methylidene-5-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)-3H-isoindol-1-one;2-methyl-5-(2-methylpropyl)pyridine;5-methyl-2-(2-methylpropyl)pyridine;methyl 4-(2-methylpropyl)pyridine-2-carboxylate;2-methylpropylbenzene;3-(2-methylpropyl)cyclohexa-2,4-dien-1-one;2-methylpropylcyclohexane;5-(2-methylpropyl)-1,3-dihydroindol-2-one;4-(2-methylpropyl)-1H-indazole;3-(2-methylpropyl)-1H-pyridin-2-one;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-3-ol is sourced from PubChem (CID 167677591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).