4-bromo-1-propan-2-ylpyrazole;4-(3-methoxyphenyl)-2-methyl-6-propan-2-ylpyridine;2-methyl-4-(2-methylphenyl)-6-propan-2-ylpyridine;2-methyl-4-(3-methylphenyl)-6-propan-2-ylpyridine;2-methyl-4-phenyl-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-(1H-pyrazol-5-yl)pyridine;N-(2-methyl-6-propan-2-yl-4-pyridinyl)acetamide;N-(2-methyl-6-propan-2-yl-4-pyridinyl)benzamide;N-(2-methyl-6-propan-2-yl-4-pyridinyl)benzenesulfonamide;3-(2-methyl-6-propan-2-yl-4-pyridinyl)benzonitrile;4-(2-methyl-6-propan-2-yl-4-pyridinyl)benzonitrile;N-(2-methyl-6-propan-2-yl-4-pyridinyl)methanesulfonamide;2-methyl-6-propan-2-yl-4-pyridin-4-ylpyridine

C179H214BrN23O7S2 — CID 158708951

IUPAC4-bromo-1-propan-2-ylpyrazole;4-(3-methoxyphenyl)-2-methyl-6-propan-2-ylpyridine;2-methyl-4-(2-methylphenyl)-6-propan-2-ylpyridine;2-methyl-4-(3-methylphenyl)-6-propan-2-ylpyridine;2-methyl-4-phenyl-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-(1H-pyrazol-5-yl)pyridine;N-(2-methyl-6-propan-2-yl-4-pyridinyl)acetamide;N-(2-methyl-6-propan-2-yl-4-pyridinyl)benzamide;N-(2-methyl-6-propan-2-yl-4-pyridinyl)benzenesulfonamide;3-(2-methyl-6-propan-2-yl-4-pyridinyl)benzonitrile;4-(2-methyl-6-propan-2-yl-4-pyridinyl)benzonitrile;N-(2-methyl-6-propan-2-yl-4-pyridinyl)methanesulfonamide;2-methyl-6-propan-2-yl-4-pyridin-4-ylpyridine
SMILESCC(=O)Nc1cc(C)nc(C(C)C)c1.CC(C)n1cc(Br)cn1.COc1cccc(-c2cc(C)nc(C(C)C)c2)c1.Cc1cc(-c2ccc(C#N)cc2)cc(C(C)C)n1.Cc1cc(-c2cccc(C#N)c2)cc(C(C)C)n1.Cc1cc(-c2ccccc2)cc(C(C)C)n1.Cc1cc(-c2ccccc2C)cc(C(C)C)n1.Cc1cc(-c2ccn[nH]2)cc(C(C)C)n1.Cc1cc(-c2ccncc2)cc(C(C)C)n1.Cc1cc(NC(=O)c2ccccc2)cc(C(C)C)n1.Cc1cc(NS(=O)(=O)c2ccccc2)cc(C(C)C)n1.Cc1cc(NS(C)(=O)=O)cc(C(C)C)n1.Cc1cccc(-c2cc(C)nc(C(C)C)c2)c1
InChIInChI=1S/C16H18N2O.2C16H16N2.C16H19NO.2C16H19N.C15H18N2O2S.C15H17N.C14H16N2.C12H15N3.C11H16N2O.C10H16N2O2S.C6H9BrN2/c1-11(2)15-10-14(9-12(3)17-15)18-16(19)13-7-5-4-6-8-13;1-11(2)16-9-15(8-12(3)18-16)14-6-4-13(10-17)5-7-14;1-11(2)16-9-15(7-12(3)18-16)14-6-4-5-13(8-14)10-17;1-11(2)16-10-14(8-12(3)17-16)13-6-5-7-15(9-13)18-4;1-11(2)16-10-15(9-13(4)17-16)14-7-5-6-12(3)8-14;1-11(2)16-10-14(9-13(4)17-16)15-8-6-5-7-12(15)3;1-11(2)15-10-13(9-12(3)16-15)17-20(18,19)14-7-5-4-6-8-14;1-11(2)15-10-14(9-12(3)16-15)13-7-5-4-6-8-13;1-10(2)14-9-13(8-11(3)16-14)12-4-6-15-7-5-12;1-8(2)12-7-10(6-9(3)14-12)11-4-5-13-15-11;1-7(2)11-6-10(13-9(4)14)5-8(3)12-11;1-7(2)10-6-9(5-8(3)11-10)12-15(4,13)14;1-5(2)9-4-6(7)3-8-9/h4-11H,1-3H3,(H,17,18,19);2*4-9,11H,1-3H3;5-11H,1-4H3;2*5-11H,1-4H3;4-11H,1-3H3,(H,16,17);4-11H,1-3H3;4-10H,1-3H3;4-8H,1-3H3,(H,13,15);5-7H,1-4H3,(H,12,13,14);5-7H,1-4H3,(H,11,12);3-5H,1-2H3
InChIKeyIIMATAXWMFMACF-UHFFFAOYSA-N
MW2943.87 g/mol
LogP45.59
Rot. Bonds30

About 4-bromo-1-propan-2-ylpyrazole;4-(3-methoxyphenyl)-2-methyl-6-propan-2-ylpyridine;2-methyl-4-(2-methylphenyl)-6-propan-2-ylpyridine;2-methyl-4-(3-methylphenyl)-6-propan-2-ylpyridine;2-methyl-4-phenyl-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-(1H-pyrazol-5-yl)pyridine;N-(2-methyl-6-propan-2-yl-4-pyridinyl)acetamide;N-(2-methyl-6-propan-2-yl-4-pyridinyl)benzamide;N-(2-methyl-6-propan-2-yl-4-pyridinyl)benzenesulfonamide;3-(2-methyl-6-propan-2-yl-4-pyridinyl)benzonitrile;4-(2-methyl-6-propan-2-yl-4-pyridinyl)benzonitrile;N-(2-methyl-6-propan-2-yl-4-pyridinyl)methanesulfonamide;2-methyl-6-propan-2-yl-4-pyridin-4-ylpyridine

4-bromo-1-propan-2-ylpyrazole;4-(3-methoxyphenyl)-2-methyl-6-propan-2-ylpyridine;2-methyl-4-(2-methylphenyl)-6-propan-2-ylpyridine;2-methyl-4-(3-methylphenyl)-6-propan-2-ylpyridine;2-methyl-4-phenyl-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-(1H-pyrazol-5-yl)pyridine;N-(2-methyl-6-propan-2-yl-4-pyridinyl)acetamide;N-(2-methyl-6-propan-2-yl-4-pyridinyl)benzamide;N-(2-methyl-6-propan-2-yl-4-pyridinyl)benzenesulfonamide;3-(2-methyl-6-propan-2-yl-4-pyridinyl)benzonitrile;4-(2-methyl-6-propan-2-yl-4-pyridinyl)benzonitrile;N-(2-methyl-6-propan-2-yl-4-pyridinyl)methanesulfonamide;2-methyl-6-propan-2-yl-4-pyridin-4-ylpyridine (PubChem CID 158708951) has the molecular formula C179H214BrN23O7S2 and a molecular weight of 2943.87 g/mol. Its IUPAC name is 4-bromo-1-propan-2-ylpyrazole;4-(3-methoxyphenyl)-2-methyl-6-propan-2-ylpyridine;2-methyl-4-(2-methylphenyl)-6-propan-2-ylpyridine;2-methyl-4-(3-methylphenyl)-6-propan-2-ylpyridine;2-methyl-4-phenyl-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-(1H-pyrazol-5-yl)pyridine;N-(2-methyl-6-propan-2-yl-4-pyridinyl)acetamide;N-(2-methyl-6-propan-2-yl-4-pyridinyl)benzamide;N-(2-methyl-6-propan-2-yl-4-pyridinyl)benzenesulfonamide;3-(2-methyl-6-propan-2-yl-4-pyridinyl)benzonitrile;4-(2-methyl-6-propan-2-yl-4-pyridinyl)benzonitrile;N-(2-methyl-6-propan-2-yl-4-pyridinyl)methanesulfonamide;2-methyl-6-propan-2-yl-4-pyridin-4-ylpyridine.

Molecular Properties

Compound Name4-bromo-1-propan-2-ylpyrazole;4-(3-methoxyphenyl)-2-methyl-6-propan-2-ylpyridine;2-methyl-4-(2-methylphenyl)-6-propan-2-ylpyridine;2-methyl-4-(3-methylphenyl)-6-propan-2-ylpyridine;2-methyl-4-phenyl-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-(1H-pyrazol-5-yl)pyridine;N-(2-methyl-6-propan-2-yl-4-pyridinyl)acetamide;N-(2-methyl-6-propan-2-yl-4-pyridinyl)benzamide;N-(2-methyl-6-propan-2-yl-4-pyridinyl)benzenesulfonamide;3-(2-methyl-6-propan-2-yl-4-pyridinyl)benzonitrile;4-(2-methyl-6-propan-2-yl-4-pyridinyl)benzonitrile;N-(2-methyl-6-propan-2-yl-4-pyridinyl)methanesulfonamide;2-methyl-6-propan-2-yl-4-pyridin-4-ylpyridine
PubChem CID158708951
Molecular FormulaC179H214BrN23O7S2
Molecular Weight2943.87 g/mol
Exact Mass2940.57
IUPAC Name4-bromo-1-propan-2-ylpyrazole;4-(3-methoxyphenyl)-2-methyl-6-propan-2-ylpyridine;2-methyl-4-(2-methylphenyl)-6-propan-2-ylpyridine;2-methyl-4-(3-methylphenyl)-6-propan-2-ylpyridine;2-methyl-4-phenyl-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-(1H-pyrazol-5-yl)pyridine;N-(2-methyl-6-propan-2-yl-4-pyridinyl)acetamide;N-(2-methyl-6-propan-2-yl-4-pyridinyl)benzamide;N-(2-methyl-6-propan-2-yl-4-pyridinyl)benzenesulfonamide;3-(2-methyl-6-propan-2-yl-4-pyridinyl)benzonitrile;4-(2-methyl-6-propan-2-yl-4-pyridinyl)benzonitrile;N-(2-methyl-6-propan-2-yl-4-pyridinyl)methanesulfonamide;2-methyl-6-propan-2-yl-4-pyridin-4-ylpyridine
SMILESCC(=O)Nc1cc(C)nc(C(C)C)c1.CC(C)n1cc(Br)cn1.COc1cccc(-c2cc(C)nc(C(C)C)c2)c1.Cc1cc(-c2ccc(C#N)cc2)cc(C(C)C)n1.Cc1cc(-c2cccc(C#N)c2)cc(C(C)C)n1.Cc1cc(-c2ccccc2)cc(C(C)C)n1.Cc1cc(-c2ccccc2C)cc(C(C)C)n1.Cc1cc(-c2ccn[nH]2)cc(C(C)C)n1.Cc1cc(-c2ccncc2)cc(C(C)C)n1.Cc1cc(NC(=O)c2ccccc2)cc(C(C)C)n1.Cc1cc(NS(=O)(=O)c2ccccc2)cc(C(C)C)n1.Cc1cc(NS(C)(=O)=O)cc(C(C)C)n1.Cc1cccc(-c2cc(C)nc(C(C)C)c2)c1
InChIInChI=1S/C16H18N2O.2C16H16N2.C16H19NO.2C16H19N.C15H18N2O2S.C15H17N.C14H16N2.C12H15N3.C11H16N2O.C10H16N2O2S.C6H9BrN2/c1-11(2)15-10-14(9-12(3)17-15)18-16(19)13-7-5-4-6-8-13;1-11(2)16-9-15(8-12(3)18-16)14-6-4-13(10-17)5-7-14;1-11(2)16-9-15(7-12(3)18-16)14-6-4-5-13(8-14)10-17;1-11(2)16-10-14(8-12(3)17-16)13-6-5-7-15(9-13)18-4;1-11(2)16-10-15(9-13(4)17-16)14-7-5-6-12(3)8-14;1-11(2)16-10-14(9-13(4)17-16)15-8-6-5-7-12(15)3;1-11(2)15-10-13(9-12(3)16-15)17-20(18,19)14-7-5-4-6-8-14;1-11(2)15-10-14(9-12(3)16-15)13-7-5-4-6-8-13;1-10(2)14-9-13(8-11(3)16-14)12-4-6-15-7-5-12;1-8(2)12-7-10(6-9(3)14-12)11-4-5-13-15-11;1-7(2)11-6-10(13-9(4)14)5-8(3)12-11;1-7(2)10-6-9(5-8(3)11-10)12-15(4,13)14;1-5(2)9-4-6(7)3-8-9/h4-11H,1-3H3,(H,17,18,19);2*4-9,11H,1-3H3;5-11H,1-4H3;2*5-11H,1-4H3;4-11H,1-3H3,(H,16,17);4-11H,1-3H3;4-10H,1-3H3;4-8H,1-3H3,(H,13,15);5-7H,1-4H3,(H,12,13,14);5-7H,1-4H3,(H,11,12);3-5H,1-2H3
InChIKeyIIMATAXWMFMACF-UHFFFAOYSA-N
XLogP45.59
TPSA421.42 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds30
Heavy Atoms212
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002943.87
LogP ≤ 545.59
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Analyze 4-bromo-1-propan-2-ylpyrazole;4-(3-methoxyphenyl)-2-methyl-6-propan-2-ylpyridine;2-methyl-4-(2-methylphenyl)-6-propan-2-ylpyridine;2-methyl-4-(3-methylphenyl)-6-propan-2-ylpyridine;2-methyl-4-phenyl-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-(1H-pyrazol-5-yl)pyridine;N-(2-methyl-6-propan-2-yl-4-pyridinyl)acetamide;N-(2-methyl-6-propan-2-yl-4-pyridinyl)benzamide;N-(2-methyl-6-propan-2-yl-4-pyridinyl)benzenesulfonamide;3-(2-methyl-6-propan-2-yl-4-pyridinyl)benzonitrile;4-(2-methyl-6-propan-2-yl-4-pyridinyl)benzonitrile;N-(2-methyl-6-propan-2-yl-4-pyridinyl)methanesulfonamide;2-methyl-6-propan-2-yl-4-pyridin-4-ylpyridine with MolForge

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Launch Full Analysis

Related Compounds

3-tert-butylbenzamide;4-tert-butylbenzamide;tert-butylbenzene;4-tert-butylbenzenesulfonamide;4-tert-butyl-2-(2-tert-butylphenyl)pyridine;1-tert-butyl-3-(methylsulfonylmethyl)benzene;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;N-(4-tert-butylphenyl)acetamide;N-(2-tert-butylphenyl)methanesulfonamide;N-[(3-tert-butylphenyl)methyl]oxan-4-amine;4-[(3-tert-butylphenyl)methyl]oxane;5-(3-tert-butylphenyl)-1-methylpyrazole;4-(3-tert-butylphenyl)morpholine;1-(3-tert-butylphenyl)propan-2-one;5-(3-tert-butylphenyl)-1H-pyrazole;2-(3-tert-butylphenyl)pyridine;2-(4-tert-butylphenyl)pyridine;3-(3-tert-butylphenyl)pyridine
CID 157068884
4-(3-methoxyphenyl)-2-methyl-6-propan-2-ylpyridine;2-methyl-4-(2-methylphenyl)-6-propan-2-ylpyridine;2-methyl-4-(3-methylphenyl)-6-propan-2-ylpyridine;2-methyl-4-phenyl-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-(1H-pyrazol-5-yl)pyridine;3-(2-methyl-6-propan-2-yl-4-pyridinyl)benzonitrile;4-(2-methyl-6-propan-2-yl-4-pyridinyl)benzonitrile;2-methyl-6-propan-2-yl-4-pyridin-4-ylpyridine;1-propan-2-ylpyrrolidin-2-one
CID 158772690
3-tert-butylbenzamide;4-tert-butylbenzamide;tert-butylbenzene;4-tert-butylbenzenesulfonamide;1-tert-butyl-3-(methylsulfonylmethyl)benzene;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;N-(4-tert-butylphenyl)acetamide;N-(2-tert-butylphenyl)methanesulfonamide;N-[(3-tert-butylphenyl)methyl]oxan-4-amine;4-[(3-tert-butylphenyl)methyl]oxane;5-(3-tert-butylphenyl)-1-methylpyrazole;4-(3-tert-butylphenyl)morpholine;1-(3-tert-butylphenyl)propan-2-one;5-(3-tert-butylphenyl)-1H-pyrazole;2-(2-tert-butylphenyl)pyridine;2-(3-tert-butylphenyl)pyridine;2-(4-tert-butylphenyl)pyridine;3-(3-tert-butylphenyl)pyridine
CID 158896046
4-bromo-1-propan-2-ylpyrazole;N-(2-tert-butyl-6-methyl-4-pyridinyl)benzenesulfonamide;2-tert-butyl-6-methyl-4-pyridin-4-ylpyridine;2,4-dimethyl-6-propan-2-ylpyridine;4-(3-methoxyphenyl)-2-methyl-6-propan-2-ylpyridine;2-methyl-4-(2-methylphenyl)-6-propan-2-ylpyridine;2-methyl-4-(3-methylphenyl)-6-propan-2-ylpyridine;2-methyl-4-phenyl-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-(1H-pyrazol-5-yl)pyridine;2-methyl-6-propan-2-ylpyridine;N-(2-methyl-6-propan-2-yl-4-pyridinyl)acetamide;N-(2-methyl-6-propan-2-yl-4-pyridinyl)benzamide;N-(2-methyl-6-propan-2-yl-4-pyridinyl)methanesulfonamide;2-propan-2-ylpyridine
CID 158929977
3-tert-butylbenzamide;4-tert-butylbenzamide;tert-butylbenzene;4-tert-butylbenzenesulfonamide;1-tert-butyl-3-(methylsulfonylmethyl)benzene;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;N-(4-tert-butylphenyl)acetamide;N-(2-tert-butylphenyl)methanesulfonamide;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;N-[(3-tert-butylphenyl)methyl]oxan-4-amine;4-[(3-tert-butylphenyl)methyl]oxane;1-[(3-tert-butylphenyl)methyl]piperazine;5-(3-tert-butylphenyl)-1-methylpyrazole;4-(3-tert-butylphenyl)morpholine;1-(3-tert-butylphenyl)propan-2-one;5-(3-tert-butylphenyl)-1H-pyrazole;2-(2-tert-butylphenyl)pyridine;2-(3-tert-butylphenyl)pyridine;2-(4-tert-butylphenyl)pyridine;3-(3-tert-butylphenyl)pyridine
CID 160031513

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-propan-2-ylpyrazole;4-(3-methoxyphenyl)-2-methyl-6-propan-2-ylpyridine;2-methyl-4-(2-methylphenyl)-6-propan-2-ylpyridine;2-methyl-4-(3-methylphenyl)-6-propan-2-ylpyridine;2-methyl-4-phenyl-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-(1H-pyrazol-5-yl)pyridine;N-(2-methyl-6-propan-2-yl-4-pyridinyl)acetamide;N-(2-methyl-6-propan-2-yl-4-pyridinyl)benzamide;N-(2-methyl-6-propan-2-yl-4-pyridinyl)benzenesulfonamide;3-(2-methyl-6-propan-2-yl-4-pyridinyl)benzonitrile;4-(2-methyl-6-propan-2-yl-4-pyridinyl)benzonitrile;N-(2-methyl-6-propan-2-yl-4-pyridinyl)methanesulfonamide;2-methyl-6-propan-2-yl-4-pyridin-4-ylpyridine?
The IUPAC name of 4-bromo-1-propan-2-ylpyrazole;4-(3-methoxyphenyl)-2-methyl-6-propan-2-ylpyridine;2-methyl-4-(2-methylphenyl)-6-propan-2-ylpyridine;2-methyl-4-(3-methylphenyl)-6-propan-2-ylpyridine;2-methyl-4-phenyl-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-(1H-pyrazol-5-yl)pyridine;N-(2-methyl-6-propan-2-yl-4-pyridinyl)acetamide;N-(2-methyl-6-propan-2-yl-4-pyridinyl)benzamide;N-(2-methyl-6-propan-2-yl-4-pyridinyl)benzenesulfonamide;3-(2-methyl-6-propan-2-yl-4-pyridinyl)benzonitrile;4-(2-methyl-6-propan-2-yl-4-pyridinyl)benzonitrile;N-(2-methyl-6-propan-2-yl-4-pyridinyl)methanesulfonamide;2-methyl-6-propan-2-yl-4-pyridin-4-ylpyridine (CID 158708951) is 4-bromo-1-propan-2-ylpyrazole;4-(3-methoxyphenyl)-2-methyl-6-propan-2-ylpyridine;2-methyl-4-(2-methylphenyl)-6-propan-2-ylpyridine;2-methyl-4-(3-methylphenyl)-6-propan-2-ylpyridine;2-methyl-4-phenyl-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-(1H-pyrazol-5-yl)pyridine;N-(2-methyl-6-propan-2-yl-4-pyridinyl)acetamide;N-(2-methyl-6-propan-2-yl-4-pyridinyl)benzamide;N-(2-methyl-6-propan-2-yl-4-pyridinyl)benzenesulfonamide;3-(2-methyl-6-propan-2-yl-4-pyridinyl)benzonitrile;4-(2-methyl-6-propan-2-yl-4-pyridinyl)benzonitrile;N-(2-methyl-6-propan-2-yl-4-pyridinyl)methanesulfonamide;2-methyl-6-propan-2-yl-4-pyridin-4-ylpyridine.
What is the SMILES notation for 4-bromo-1-propan-2-ylpyrazole;4-(3-methoxyphenyl)-2-methyl-6-propan-2-ylpyridine;2-methyl-4-(2-methylphenyl)-6-propan-2-ylpyridine;2-methyl-4-(3-methylphenyl)-6-propan-2-ylpyridine;2-methyl-4-phenyl-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-(1H-pyrazol-5-yl)pyridine;N-(2-methyl-6-propan-2-yl-4-pyridinyl)acetamide;N-(2-methyl-6-propan-2-yl-4-pyridinyl)benzamide;N-(2-methyl-6-propan-2-yl-4-pyridinyl)benzenesulfonamide;3-(2-methyl-6-propan-2-yl-4-pyridinyl)benzonitrile;4-(2-methyl-6-propan-2-yl-4-pyridinyl)benzonitrile;N-(2-methyl-6-propan-2-yl-4-pyridinyl)methanesulfonamide;2-methyl-6-propan-2-yl-4-pyridin-4-ylpyridine?
The canonical SMILES for 4-bromo-1-propan-2-ylpyrazole;4-(3-methoxyphenyl)-2-methyl-6-propan-2-ylpyridine;2-methyl-4-(2-methylphenyl)-6-propan-2-ylpyridine;2-methyl-4-(3-methylphenyl)-6-propan-2-ylpyridine;2-methyl-4-phenyl-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-(1H-pyrazol-5-yl)pyridine;N-(2-methyl-6-propan-2-yl-4-pyridinyl)acetamide;N-(2-methyl-6-propan-2-yl-4-pyridinyl)benzamide;N-(2-methyl-6-propan-2-yl-4-pyridinyl)benzenesulfonamide;3-(2-methyl-6-propan-2-yl-4-pyridinyl)benzonitrile;4-(2-methyl-6-propan-2-yl-4-pyridinyl)benzonitrile;N-(2-methyl-6-propan-2-yl-4-pyridinyl)methanesulfonamide;2-methyl-6-propan-2-yl-4-pyridin-4-ylpyridine is CC(=O)Nc1cc(C)nc(C(C)C)c1.CC(C)n1cc(Br)cn1.COc1cccc(-c2cc(C)nc(C(C)C)c2)c1.Cc1cc(-c2ccc(C#N)cc2)cc(C(C)C)n1.Cc1cc(-c2cccc(C#N)c2)cc(C(C)C)n1.Cc1cc(-c2ccccc2)cc(C(C)C)n1.Cc1cc(-c2ccccc2C)cc(C(C)C)n1.Cc1cc(-c2ccn[nH]2)cc(C(C)C)n1.Cc1cc(-c2ccncc2)cc(C(C)C)n1.Cc1cc(NC(=O)c2ccccc2)cc(C(C)C)n1.Cc1cc(NS(=O)(=O)c2ccccc2)cc(C(C)C)n1.Cc1cc(NS(C)(=O)=O)cc(C(C)C)n1.Cc1cccc(-c2cc(C)nc(C(C)C)c2)c1.
What is the InChIKey of 4-bromo-1-propan-2-ylpyrazole;4-(3-methoxyphenyl)-2-methyl-6-propan-2-ylpyridine;2-methyl-4-(2-methylphenyl)-6-propan-2-ylpyridine;2-methyl-4-(3-methylphenyl)-6-propan-2-ylpyridine;2-methyl-4-phenyl-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-(1H-pyrazol-5-yl)pyridine;N-(2-methyl-6-propan-2-yl-4-pyridinyl)acetamide;N-(2-methyl-6-propan-2-yl-4-pyridinyl)benzamide;N-(2-methyl-6-propan-2-yl-4-pyridinyl)benzenesulfonamide;3-(2-methyl-6-propan-2-yl-4-pyridinyl)benzonitrile;4-(2-methyl-6-propan-2-yl-4-pyridinyl)benzonitrile;N-(2-methyl-6-propan-2-yl-4-pyridinyl)methanesulfonamide;2-methyl-6-propan-2-yl-4-pyridin-4-ylpyridine?
The InChIKey is IIMATAXWMFMACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O.2C16H16N2.C16H19NO.2C16H19N.C15H18N2O2S.C15H17N.C14H16N2.C12H15N3.C11H16N2O.C10H16N2O2S.C6H9BrN2/c1-11(2)15-10-14(9-12(3)17-15)18-16(19)13-7-5-4-6-8-13;1-11(2)16-9-15(8-12(3)18-16)14-6-4-13(10-17)5-7-14;1-11(2)16-9-15(7-12(3)18-16)14-6-4-5-13(8-14)10-17;1-11(2)16-10-14(8-12(3)17-16)13-6-5-7-15(9-13)18-4;1-11(2)16-10-15(9-13(4)17-16)14-7-5-6-12(3)8-14;1-11(2)16-10-14(9-13(4)17-16)15-8-6-5-7-12(15)3;1-11(2)15-10-13(9-12(3)16-15)17-20(18,19)14-7-5-4-6-8-14;1-11(2)15-10-14(9-12(3)16-15)13-7-5-4-6-8-13;1-10(2)14-9-13(8-11(3)16-14)12-4-6-15-7-5-12;1-8(2)12-7-10(6-9(3)14-12)11-4-5-13-15-11;1-7(2)11-6-10(13-9(4)14)5-8(3)12-11;1-7(2)10-6-9(5-8(3)11-10)12-15(4,13)14;1-5(2)9-4-6(7)3-8-9/h4-11H,1-3H3,(H,17,18,19);2*4-9,11H,1-3H3;5-11H,1-4H3;2*5-11H,1-4H3;4-11H,1-3H3,(H,16,17);4-11H,1-3H3;4-10H,1-3H3;4-8H,1-3H3,(H,13,15);5-7H,1-4H3,(H,12,13,14);5-7H,1-4H3,(H,11,12);3-5H,1-2H3.
What are the key properties of 4-bromo-1-propan-2-ylpyrazole;4-(3-methoxyphenyl)-2-methyl-6-propan-2-ylpyridine;2-methyl-4-(2-methylphenyl)-6-propan-2-ylpyridine;2-methyl-4-(3-methylphenyl)-6-propan-2-ylpyridine;2-methyl-4-phenyl-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-(1H-pyrazol-5-yl)pyridine;N-(2-methyl-6-propan-2-yl-4-pyridinyl)acetamide;N-(2-methyl-6-propan-2-yl-4-pyridinyl)benzamide;N-(2-methyl-6-propan-2-yl-4-pyridinyl)benzenesulfonamide;3-(2-methyl-6-propan-2-yl-4-pyridinyl)benzonitrile;4-(2-methyl-6-propan-2-yl-4-pyridinyl)benzonitrile;N-(2-methyl-6-propan-2-yl-4-pyridinyl)methanesulfonamide;2-methyl-6-propan-2-yl-4-pyridin-4-ylpyridine?
4-bromo-1-propan-2-ylpyrazole;4-(3-methoxyphenyl)-2-methyl-6-propan-2-ylpyridine;2-methyl-4-(2-methylphenyl)-6-propan-2-ylpyridine;2-methyl-4-(3-methylphenyl)-6-propan-2-ylpyridine;2-methyl-4-phenyl-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-(1H-pyrazol-5-yl)pyridine;N-(2-methyl-6-propan-2-yl-4-pyridinyl)acetamide;N-(2-methyl-6-propan-2-yl-4-pyridinyl)benzamide;N-(2-methyl-6-propan-2-yl-4-pyridinyl)benzenesulfonamide;3-(2-methyl-6-propan-2-yl-4-pyridinyl)benzonitrile;4-(2-methyl-6-propan-2-yl-4-pyridinyl)benzonitrile;N-(2-methyl-6-propan-2-yl-4-pyridinyl)methanesulfonamide;2-methyl-6-propan-2-yl-4-pyridin-4-ylpyridine has a molecular weight of 2943.87 g/mol, XLogP of 45.59, 30 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-propan-2-ylpyrazole;4-(3-methoxyphenyl)-2-methyl-6-propan-2-ylpyridine;2-methyl-4-(2-methylphenyl)-6-propan-2-ylpyridine;2-methyl-4-(3-methylphenyl)-6-propan-2-ylpyridine;2-methyl-4-phenyl-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-(1H-pyrazol-5-yl)pyridine;N-(2-methyl-6-propan-2-yl-4-pyridinyl)acetamide;N-(2-methyl-6-propan-2-yl-4-pyridinyl)benzamide;N-(2-methyl-6-propan-2-yl-4-pyridinyl)benzenesulfonamide;3-(2-methyl-6-propan-2-yl-4-pyridinyl)benzonitrile;4-(2-methyl-6-propan-2-yl-4-pyridinyl)benzonitrile;N-(2-methyl-6-propan-2-yl-4-pyridinyl)methanesulfonamide;2-methyl-6-propan-2-yl-4-pyridin-4-ylpyridine is sourced from PubChem (CID 158708951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).