tert-butyl 1-propan-2-yltriazole-4-carboxylate;cumene;ethyl 6-oxo-5-propan-2-yl-1H-pyridine-3-carboxylate;1-methyl-5-phenyl-3-propan-2-ylpyrazole;1-methyl-3-propan-2-ylindazole;1-methyl-3-propan-2-ylindole;1-methyl-3-propan-2-ylpyrazole;1-methyl-3-propan-2-ylquinolin-2-one;1-phenyl-3-propan-2-ylbenzene;4-phenyl-1-propan-2-ylpiperazin-2-one;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-a]pyrimidine;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one

C160H206N22O10 — CID 158053240

IUPACtert-butyl 1-propan-2-yltriazole-4-carboxylate;cumene;ethyl 6-oxo-5-propan-2-yl-1H-pyridine-3-carboxylate;1-methyl-5-phenyl-3-propan-2-ylpyrazole;1-methyl-3-propan-2-ylindazole;1-methyl-3-propan-2-ylindole;1-methyl-3-propan-2-ylpyrazole;1-methyl-3-propan-2-ylquinolin-2-one;1-phenyl-3-propan-2-ylbenzene;4-phenyl-1-propan-2-ylpiperazin-2-one;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-a]pyrimidine;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)N1C(=O)c2ccccc2C1=O.CC(C)N1CCN(c2ccccc2)CC1=O.CC(C)c1cc(-c2ccccc2)n(C)n1.CC(C)c1cc2ccccc2n(C)c1=O.CC(C)c1ccc[nH]c1=O.CC(C)c1cccc(-c2ccccc2)c1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccn(C)n1.CC(C)c1cn(C)c2ccccc12.CC(C)c1cnc2ccccn12.CC(C)c1cnc2ncccn12.CC(C)c1nn(C)c2ccccc12.CC(C)n1cc(C(=O)OC(C)(C)C)nn1.CCOC(=O)c1c[nH]c(=O)c(C(C)C)c1
InChIInChI=1S/C15H16.C13H18N2O.C13H16N2.C13H15NO.C12H15N.C11H14N2.C11H15NO3.C11H11NO2.C10H17N3O2.C10H12N2.C9H11N3.C9H12.C8H11NO.C8H11N.C7H12N2/c1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;1-11(2)15-9-8-14(10-13(15)16)12-6-4-3-5-7-12;1-10(2)12-9-13(15(3)14-12)11-7-5-4-6-8-11;1-9(2)11-8-10-6-4-5-7-12(10)14(3)13(11)15;1-9(2)11-8-13(3)12-7-5-4-6-10(11)12;1-8(2)11-9-6-4-5-7-10(9)13(3)12-11;1-4-15-11(14)8-5-9(7(2)3)10(13)12-6-8;1-7(2)12-10(13)8-5-3-4-6-9(8)11(12)14;1-7(2)13-6-8(11-12-13)9(14)15-10(3,4)5;1-8(2)9-7-11-10-5-3-4-6-12(9)10;1-7(2)8-6-11-9-10-4-3-5-12(8)9;1-8(2)9-6-4-3-5-7-9;1-6(2)7-4-3-5-9-8(7)10;1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-5-9(3)8-7/h3-12H,1-2H3;3-7,11H,8-10H2,1-2H3;4-10H,1-3H3;4-9H,1-3H3;4-9H,1-3H3;4-8H,1-3H3;5-7H,4H2,1-3H3,(H,12,13);3-7H,1-2H3;6-7H,1-5H3;3-8H,1-2H3;3-7H,1-2H3;3-8H,1-2H3;3-6H,1-2H3,(H,9,10);3-7H,1-2H3;4-6H,1-3H3
InChIKeyFJSTXVVNGXISFT-UHFFFAOYSA-N
MW2597.55 g/mol
LogP35.64
Rot. Bonds21

About tert-butyl 1-propan-2-yltriazole-4-carboxylate;cumene;ethyl 6-oxo-5-propan-2-yl-1H-pyridine-3-carboxylate;1-methyl-5-phenyl-3-propan-2-ylpyrazole;1-methyl-3-propan-2-ylindazole;1-methyl-3-propan-2-ylindole;1-methyl-3-propan-2-ylpyrazole;1-methyl-3-propan-2-ylquinolin-2-one;1-phenyl-3-propan-2-ylbenzene;4-phenyl-1-propan-2-ylpiperazin-2-one;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-a]pyrimidine;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one

tert-butyl 1-propan-2-yltriazole-4-carboxylate;cumene;ethyl 6-oxo-5-propan-2-yl-1H-pyridine-3-carboxylate;1-methyl-5-phenyl-3-propan-2-ylpyrazole;1-methyl-3-propan-2-ylindazole;1-methyl-3-propan-2-ylindole;1-methyl-3-propan-2-ylpyrazole;1-methyl-3-propan-2-ylquinolin-2-one;1-phenyl-3-propan-2-ylbenzene;4-phenyl-1-propan-2-ylpiperazin-2-one;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-a]pyrimidine;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one (PubChem CID 158053240) has the molecular formula C160H206N22O10 and a molecular weight of 2597.55 g/mol. Its IUPAC name is tert-butyl 1-propan-2-yltriazole-4-carboxylate;cumene;ethyl 6-oxo-5-propan-2-yl-1H-pyridine-3-carboxylate;1-methyl-5-phenyl-3-propan-2-ylpyrazole;1-methyl-3-propan-2-ylindazole;1-methyl-3-propan-2-ylindole;1-methyl-3-propan-2-ylpyrazole;1-methyl-3-propan-2-ylquinolin-2-one;1-phenyl-3-propan-2-ylbenzene;4-phenyl-1-propan-2-ylpiperazin-2-one;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-a]pyrimidine;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Nametert-butyl 1-propan-2-yltriazole-4-carboxylate;cumene;ethyl 6-oxo-5-propan-2-yl-1H-pyridine-3-carboxylate;1-methyl-5-phenyl-3-propan-2-ylpyrazole;1-methyl-3-propan-2-ylindazole;1-methyl-3-propan-2-ylindole;1-methyl-3-propan-2-ylpyrazole;1-methyl-3-propan-2-ylquinolin-2-one;1-phenyl-3-propan-2-ylbenzene;4-phenyl-1-propan-2-ylpiperazin-2-one;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-a]pyrimidine;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one
PubChem CID158053240
Molecular FormulaC160H206N22O10
Molecular Weight2597.55 g/mol
Exact Mass2595.63
IUPAC Nametert-butyl 1-propan-2-yltriazole-4-carboxylate;cumene;ethyl 6-oxo-5-propan-2-yl-1H-pyridine-3-carboxylate;1-methyl-5-phenyl-3-propan-2-ylpyrazole;1-methyl-3-propan-2-ylindazole;1-methyl-3-propan-2-ylindole;1-methyl-3-propan-2-ylpyrazole;1-methyl-3-propan-2-ylquinolin-2-one;1-phenyl-3-propan-2-ylbenzene;4-phenyl-1-propan-2-ylpiperazin-2-one;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-a]pyrimidine;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)N1C(=O)c2ccccc2C1=O.CC(C)N1CCN(c2ccccc2)CC1=O.CC(C)c1cc(-c2ccccc2)n(C)n1.CC(C)c1cc2ccccc2n(C)c1=O.CC(C)c1ccc[nH]c1=O.CC(C)c1cccc(-c2ccccc2)c1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccn(C)n1.CC(C)c1cn(C)c2ccccc12.CC(C)c1cnc2ccccn12.CC(C)c1cnc2ncccn12.CC(C)c1nn(C)c2ccccc12.CC(C)n1cc(C(=O)OC(C)(C)C)nn1.CCOC(=O)c1c[nH]c(=O)c(C(C)C)c1
InChIInChI=1S/C15H16.C13H18N2O.C13H16N2.C13H15NO.C12H15N.C11H14N2.C11H15NO3.C11H11NO2.C10H17N3O2.C10H12N2.C9H11N3.C9H12.C8H11NO.C8H11N.C7H12N2/c1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;1-11(2)15-9-8-14(10-13(15)16)12-6-4-3-5-7-12;1-10(2)12-9-13(15(3)14-12)11-7-5-4-6-8-11;1-9(2)11-8-10-6-4-5-7-12(10)14(3)13(11)15;1-9(2)11-8-13(3)12-7-5-4-6-10(11)12;1-8(2)11-9-6-4-5-7-10(9)13(3)12-11;1-4-15-11(14)8-5-9(7(2)3)10(13)12-6-8;1-7(2)12-10(13)8-5-3-4-6-9(8)11(12)14;1-7(2)13-6-8(11-12-13)9(14)15-10(3,4)5;1-8(2)9-7-11-10-5-3-4-6-12(9)10;1-7(2)8-6-11-9-10-4-3-5-12(8)9;1-8(2)9-6-4-3-5-7-9;1-6(2)7-4-3-5-9-8(7)10;1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-5-9(3)8-7/h3-12H,1-2H3;3-7,11H,8-10H2,1-2H3;4-10H,1-3H3;4-9H,1-3H3;4-9H,1-3H3;4-8H,1-3H3;5-7H,4H2,1-3H3,(H,12,13);3-7H,1-2H3;6-7H,1-5H3;3-8H,1-2H3;3-7H,1-2H3;3-8H,1-2H3;3-6H,1-2H3,(H,9,10);3-7H,1-2H3;4-6H,1-3H3
InChIKeyFJSTXVVNGXISFT-UHFFFAOYSA-N
XLogP35.64
TPSA350.73 Ų
H-Bond Donors2
H-Bond Acceptors28
Rotatable Bonds21
Heavy Atoms192
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002597.55
LogP ≤ 535.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze tert-butyl 1-propan-2-yltriazole-4-carboxylate;cumene;ethyl 6-oxo-5-propan-2-yl-1H-pyridine-3-carboxylate;1-methyl-5-phenyl-3-propan-2-ylpyrazole;1-methyl-3-propan-2-ylindazole;1-methyl-3-propan-2-ylindole;1-methyl-3-propan-2-ylpyrazole;1-methyl-3-propan-2-ylquinolin-2-one;1-phenyl-3-propan-2-ylbenzene;4-phenyl-1-propan-2-ylpiperazin-2-one;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-a]pyrimidine;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

7-cyclopentyl-2-[[5-[4-[[1-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]triazol-4-yl]methyl]piperazin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 155520315
4-[[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;methyl 7-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 157202702
4-[[3-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one;ethyl 7-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxylate;7-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]-N-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;4-[[3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one
CID 157280869
6-[5-fluoro-2-(6-methyl-2-pyridinyl)phenyl]-N-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide;6-[5-fluoro-2-[6-(trideuteriomethyl)-2-pyridinyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(1-methylpyrazol-3-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(6-methyl-2-pyridinyl)phenyl]-3H-quinazolin-4-one;6-[2-(2-methylpyrimidin-4-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-[6-(trifluoromethyl)-2-pyridinyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 160687214
(3-Fluoro-2-pyrimidin-2-ylphenyl)-[2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(2-iodo-3-methylphenyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;methyl 5-[[7-(3-fluoro-2-pyrimidin-2-ylbenzoyl)-7-azabicyclo[2.2.1]heptan-2-yl]methyl]pyrazine-2-carboxylate
CID 161019618
[3-Ethyl-2,6-dioxo-1-propyl-8-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]purin-7-yl]methyl 1-methylimidazole-2-carboxylate;[3-ethyl-2,6-dioxo-1-propyl-8-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]purin-7-yl]methyl 1-methylimidazole-4-carboxylate;[3-ethyl-2,6-dioxo-1-propyl-8-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]purin-7-yl]methyl pyridine-4-carboxylate
CID 162110509
[(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)methanone;[(2S,3R)-3-methyl-2-[[(5-methyl-2-pyridinyl)amino]methyl]piperidin-1-yl]-(2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)methanone;[(2S,3R)-3-methyl-2-[[(5-methylpyrimidin-2-yl)amino]methyl]piperidin-1-yl]-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)methanone;[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone
CID 167577923
1-ethyl-4-(isoquinolin-3-ylmethyl)-N-(6-methylspiro[3.3]heptan-2-yl)indazole-3-carboxamide;1-ethyl-N-(6-methylspiro[3.3]heptan-2-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]indazole-3-carboxamide;1-ethyl-N-(6-methylspiro[3.3]heptan-2-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]indole-3-carboxamide;1-ethyl-N-(6-methylspiro[3.3]heptan-2-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-(2-fluoroethyl)-N-(6-methylspiro[3.3]heptan-2-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]indole-3-carboxamide;1-(2-methylpropyl)-N-(6-methylspiro[3.3]heptan-2-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]indazole-3-carboxamide;N-(6-methylspiro[3.3]heptan-2-yl)-1-propan-2-yl-4-[[4-(trifluoromethyl)phenyl]methyl]indazole-3-carboxamide;bis(N-(6-methylspiro[3.3]heptan-2-yl)-8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide)
CID 167640587
1-[3-[6-[2-[5-(7-acetyl-3-morpholin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-3-(1-methylpyrazol-4-yl)indazol-1-yl]ethylcarbamoyl]-3-pyridinyl]isoquinolin-8-yl]-3-cyclopropyl-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
CID 139556018
3-[(1S)-1-[(5-acetyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl]-8-(1-methylpyrazol-4-yl)-2-phenylisoquinolin-1-one;3-[(1S)-1-[(2-amino-7H-purin-6-yl)amino]ethyl]-8-(1-methylpyrazol-4-yl)-2-phenylisoquinolin-1-one;8-(1-methylpyrazol-4-yl)-3-[(1S)-1-[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl]-2-phenylisoquinolin-1-one;8-(1-methylpyrazol-4-yl)-3-[(1S)-1-[(4-methyl-1,3,5-triazin-2-yl)amino]ethyl]-2-phenylisoquinolin-1-one
CID 157144713
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methylindazol-3-amine
CID 157145128
4-[2-(2-aminoethoxy)ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]-2-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]acetamide;2-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]acetic acid
CID 157178554

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-propan-2-yltriazole-4-carboxylate;cumene;ethyl 6-oxo-5-propan-2-yl-1H-pyridine-3-carboxylate;1-methyl-5-phenyl-3-propan-2-ylpyrazole;1-methyl-3-propan-2-ylindazole;1-methyl-3-propan-2-ylindole;1-methyl-3-propan-2-ylpyrazole;1-methyl-3-propan-2-ylquinolin-2-one;1-phenyl-3-propan-2-ylbenzene;4-phenyl-1-propan-2-ylpiperazin-2-one;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-a]pyrimidine;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of tert-butyl 1-propan-2-yltriazole-4-carboxylate;cumene;ethyl 6-oxo-5-propan-2-yl-1H-pyridine-3-carboxylate;1-methyl-5-phenyl-3-propan-2-ylpyrazole;1-methyl-3-propan-2-ylindazole;1-methyl-3-propan-2-ylindole;1-methyl-3-propan-2-ylpyrazole;1-methyl-3-propan-2-ylquinolin-2-one;1-phenyl-3-propan-2-ylbenzene;4-phenyl-1-propan-2-ylpiperazin-2-one;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-a]pyrimidine;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one (CID 158053240) is tert-butyl 1-propan-2-yltriazole-4-carboxylate;cumene;ethyl 6-oxo-5-propan-2-yl-1H-pyridine-3-carboxylate;1-methyl-5-phenyl-3-propan-2-ylpyrazole;1-methyl-3-propan-2-ylindazole;1-methyl-3-propan-2-ylindole;1-methyl-3-propan-2-ylpyrazole;1-methyl-3-propan-2-ylquinolin-2-one;1-phenyl-3-propan-2-ylbenzene;4-phenyl-1-propan-2-ylpiperazin-2-one;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-a]pyrimidine;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for tert-butyl 1-propan-2-yltriazole-4-carboxylate;cumene;ethyl 6-oxo-5-propan-2-yl-1H-pyridine-3-carboxylate;1-methyl-5-phenyl-3-propan-2-ylpyrazole;1-methyl-3-propan-2-ylindazole;1-methyl-3-propan-2-ylindole;1-methyl-3-propan-2-ylpyrazole;1-methyl-3-propan-2-ylquinolin-2-one;1-phenyl-3-propan-2-ylbenzene;4-phenyl-1-propan-2-ylpiperazin-2-one;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-a]pyrimidine;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for tert-butyl 1-propan-2-yltriazole-4-carboxylate;cumene;ethyl 6-oxo-5-propan-2-yl-1H-pyridine-3-carboxylate;1-methyl-5-phenyl-3-propan-2-ylpyrazole;1-methyl-3-propan-2-ylindazole;1-methyl-3-propan-2-ylindole;1-methyl-3-propan-2-ylpyrazole;1-methyl-3-propan-2-ylquinolin-2-one;1-phenyl-3-propan-2-ylbenzene;4-phenyl-1-propan-2-ylpiperazin-2-one;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-a]pyrimidine;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one is CC(C)N1C(=O)c2ccccc2C1=O.CC(C)N1CCN(c2ccccc2)CC1=O.CC(C)c1cc(-c2ccccc2)n(C)n1.CC(C)c1cc2ccccc2n(C)c1=O.CC(C)c1ccc[nH]c1=O.CC(C)c1cccc(-c2ccccc2)c1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccn(C)n1.CC(C)c1cn(C)c2ccccc12.CC(C)c1cnc2ccccn12.CC(C)c1cnc2ncccn12.CC(C)c1nn(C)c2ccccc12.CC(C)n1cc(C(=O)OC(C)(C)C)nn1.CCOC(=O)c1c[nH]c(=O)c(C(C)C)c1.
What is the InChIKey of tert-butyl 1-propan-2-yltriazole-4-carboxylate;cumene;ethyl 6-oxo-5-propan-2-yl-1H-pyridine-3-carboxylate;1-methyl-5-phenyl-3-propan-2-ylpyrazole;1-methyl-3-propan-2-ylindazole;1-methyl-3-propan-2-ylindole;1-methyl-3-propan-2-ylpyrazole;1-methyl-3-propan-2-ylquinolin-2-one;1-phenyl-3-propan-2-ylbenzene;4-phenyl-1-propan-2-ylpiperazin-2-one;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-a]pyrimidine;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one?
The InChIKey is FJSTXVVNGXISFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16.C13H18N2O.C13H16N2.C13H15NO.C12H15N.C11H14N2.C11H15NO3.C11H11NO2.C10H17N3O2.C10H12N2.C9H11N3.C9H12.C8H11NO.C8H11N.C7H12N2/c1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;1-11(2)15-9-8-14(10-13(15)16)12-6-4-3-5-7-12;1-10(2)12-9-13(15(3)14-12)11-7-5-4-6-8-11;1-9(2)11-8-10-6-4-5-7-12(10)14(3)13(11)15;1-9(2)11-8-13(3)12-7-5-4-6-10(11)12;1-8(2)11-9-6-4-5-7-10(9)13(3)12-11;1-4-15-11(14)8-5-9(7(2)3)10(13)12-6-8;1-7(2)12-10(13)8-5-3-4-6-9(8)11(12)14;1-7(2)13-6-8(11-12-13)9(14)15-10(3,4)5;1-8(2)9-7-11-10-5-3-4-6-12(9)10;1-7(2)8-6-11-9-10-4-3-5-12(8)9;1-8(2)9-6-4-3-5-7-9;1-6(2)7-4-3-5-9-8(7)10;1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-5-9(3)8-7/h3-12H,1-2H3;3-7,11H,8-10H2,1-2H3;4-10H,1-3H3;4-9H,1-3H3;4-9H,1-3H3;4-8H,1-3H3;5-7H,4H2,1-3H3,(H,12,13);3-7H,1-2H3;6-7H,1-5H3;3-8H,1-2H3;3-7H,1-2H3;3-8H,1-2H3;3-6H,1-2H3,(H,9,10);3-7H,1-2H3;4-6H,1-3H3.
What are the key properties of tert-butyl 1-propan-2-yltriazole-4-carboxylate;cumene;ethyl 6-oxo-5-propan-2-yl-1H-pyridine-3-carboxylate;1-methyl-5-phenyl-3-propan-2-ylpyrazole;1-methyl-3-propan-2-ylindazole;1-methyl-3-propan-2-ylindole;1-methyl-3-propan-2-ylpyrazole;1-methyl-3-propan-2-ylquinolin-2-one;1-phenyl-3-propan-2-ylbenzene;4-phenyl-1-propan-2-ylpiperazin-2-one;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-a]pyrimidine;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one?
tert-butyl 1-propan-2-yltriazole-4-carboxylate;cumene;ethyl 6-oxo-5-propan-2-yl-1H-pyridine-3-carboxylate;1-methyl-5-phenyl-3-propan-2-ylpyrazole;1-methyl-3-propan-2-ylindazole;1-methyl-3-propan-2-ylindole;1-methyl-3-propan-2-ylpyrazole;1-methyl-3-propan-2-ylquinolin-2-one;1-phenyl-3-propan-2-ylbenzene;4-phenyl-1-propan-2-ylpiperazin-2-one;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-a]pyrimidine;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one has a molecular weight of 2597.55 g/mol, XLogP of 35.64, 21 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-propan-2-yltriazole-4-carboxylate;cumene;ethyl 6-oxo-5-propan-2-yl-1H-pyridine-3-carboxylate;1-methyl-5-phenyl-3-propan-2-ylpyrazole;1-methyl-3-propan-2-ylindazole;1-methyl-3-propan-2-ylindole;1-methyl-3-propan-2-ylpyrazole;1-methyl-3-propan-2-ylquinolin-2-one;1-phenyl-3-propan-2-ylbenzene;4-phenyl-1-propan-2-ylpiperazin-2-one;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-a]pyrimidine;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 158053240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).