1-tert-butyl-2-propan-2-ylbenzene;2-cyclopropyl-4-methyl-3-propan-2-ylpyridine;2,4-diethyl-3-propan-2-yl-1H-pyrrole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;4,5-di(propan-2-yl)-1,3-thiazole;2-ethyl-4-methyl-3-propan-2-ylpyridine;1-methyl-2,3-di(propan-2-yl)benzene;4-methyl-1,5-di(propan-2-yl)pyrazole;4-methyl-2,3-di(propan-2-yl)pyridine;5-[1-(2-propan-2-ylphenyl)ethyl]-1,3-oxazole;2,3,4-tri(propan-2-yl)pyridine

C144H218F4N12OS — CID 159588597

IUPAC1-tert-butyl-2-propan-2-ylbenzene;2-cyclopropyl-4-methyl-3-propan-2-ylpyridine;2,4-diethyl-3-propan-2-yl-1H-pyrrole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;4,5-di(propan-2-yl)-1,3-thiazole;2-ethyl-4-methyl-3-propan-2-ylpyridine;1-methyl-2,3-di(propan-2-yl)benzene;4-methyl-1,5-di(propan-2-yl)pyrazole;4-methyl-2,3-di(propan-2-yl)pyridine;5-[1-(2-propan-2-ylphenyl)ethyl]-1,3-oxazole;2,3,4-tri(propan-2-yl)pyridine
SMILESCC(C)c1ccccc1C(C)(C)C.CC(C)c1ccccc1C(C)c1cnco1.CC(C)c1ccccc1N1CCC(F)(F)C1.CC(C)c1cccnc1N1CCC(F)(F)C1.CC(C)c1ccnc(C(C)C)c1C(C)C.CC(C)c1ncsc1C(C)C.CCc1c[nH]c(CC)c1C(C)C.CCc1nccc(C)c1C(C)C.Cc1cccc(C(C)C)c1C(C)C.Cc1ccnc(C(C)C)c1C(C)C.Cc1ccnc(C2CC2)c1C(C)C.Cc1cnn(C(C)C)c1C(C)C
InChIInChI=1S/C14H17NO.C14H23N.C13H17F2N.2C13H20.C12H16F2N2.C12H17N.C12H19N.C11H17N.C11H19N.C10H18N2.C9H15NS/c1-10(2)12-6-4-5-7-13(12)11(3)14-8-15-9-16-14;1-9(2)12-7-8-15-14(11(5)6)13(12)10(3)4;1-10(2)11-5-3-4-6-12(11)16-8-7-13(14,15)9-16;1-10(2)11-8-6-7-9-12(11)13(3,4)5;1-9(2)12-8-6-7-11(5)13(12)10(3)4;1-9(2)10-4-3-6-15-11(10)16-7-5-12(13,14)8-16;1-8(2)11-9(3)6-7-13-12(11)10-4-5-10;1-8(2)11-10(5)6-7-13-12(11)9(3)4;1-5-10-11(8(2)3)9(4)6-7-12-10;1-5-9-7-12-10(6-2)11(9)8(3)4;1-7(2)10-9(5)6-11-12(10)8(3)4;1-6(2)8-9(7(3)4)11-5-10-8/h4-11H,1-3H3;7-11H,1-6H3;3-6,10H,7-9H2,1-2H3;2*6-10H,1-5H3;3-4,6,9H,5,7-8H2,1-2H3;6-8,10H,4-5H2,1-3H3;6-9H,1-5H3;6-8H,5H2,1-4H3;7-8,12H,5-6H2,1-4H3;6-8H,1-5H3;5-7H,1-4H3
InChIKeyMJYHVCCILCMUKZ-UHFFFAOYSA-N
MW2241.47 g/mol
LogP43.11
Rot. Bonds26

About 1-tert-butyl-2-propan-2-ylbenzene;2-cyclopropyl-4-methyl-3-propan-2-ylpyridine;2,4-diethyl-3-propan-2-yl-1H-pyrrole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;4,5-di(propan-2-yl)-1,3-thiazole;2-ethyl-4-methyl-3-propan-2-ylpyridine;1-methyl-2,3-di(propan-2-yl)benzene;4-methyl-1,5-di(propan-2-yl)pyrazole;4-methyl-2,3-di(propan-2-yl)pyridine;5-[1-(2-propan-2-ylphenyl)ethyl]-1,3-oxazole;2,3,4-tri(propan-2-yl)pyridine

1-tert-butyl-2-propan-2-ylbenzene;2-cyclopropyl-4-methyl-3-propan-2-ylpyridine;2,4-diethyl-3-propan-2-yl-1H-pyrrole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;4,5-di(propan-2-yl)-1,3-thiazole;2-ethyl-4-methyl-3-propan-2-ylpyridine;1-methyl-2,3-di(propan-2-yl)benzene;4-methyl-1,5-di(propan-2-yl)pyrazole;4-methyl-2,3-di(propan-2-yl)pyridine;5-[1-(2-propan-2-ylphenyl)ethyl]-1,3-oxazole;2,3,4-tri(propan-2-yl)pyridine (PubChem CID 159588597) has the molecular formula C144H218F4N12OS and a molecular weight of 2241.47 g/mol. Its IUPAC name is 1-tert-butyl-2-propan-2-ylbenzene;2-cyclopropyl-4-methyl-3-propan-2-ylpyridine;2,4-diethyl-3-propan-2-yl-1H-pyrrole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;4,5-di(propan-2-yl)-1,3-thiazole;2-ethyl-4-methyl-3-propan-2-ylpyridine;1-methyl-2,3-di(propan-2-yl)benzene;4-methyl-1,5-di(propan-2-yl)pyrazole;4-methyl-2,3-di(propan-2-yl)pyridine;5-[1-(2-propan-2-ylphenyl)ethyl]-1,3-oxazole;2,3,4-tri(propan-2-yl)pyridine.

Molecular Properties

Compound Name1-tert-butyl-2-propan-2-ylbenzene;2-cyclopropyl-4-methyl-3-propan-2-ylpyridine;2,4-diethyl-3-propan-2-yl-1H-pyrrole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;4,5-di(propan-2-yl)-1,3-thiazole;2-ethyl-4-methyl-3-propan-2-ylpyridine;1-methyl-2,3-di(propan-2-yl)benzene;4-methyl-1,5-di(propan-2-yl)pyrazole;4-methyl-2,3-di(propan-2-yl)pyridine;5-[1-(2-propan-2-ylphenyl)ethyl]-1,3-oxazole;2,3,4-tri(propan-2-yl)pyridine
PubChem CID159588597
Molecular FormulaC144H218F4N12OS
Molecular Weight2241.47 g/mol
Exact Mass2239.70
IUPAC Name1-tert-butyl-2-propan-2-ylbenzene;2-cyclopropyl-4-methyl-3-propan-2-ylpyridine;2,4-diethyl-3-propan-2-yl-1H-pyrrole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;4,5-di(propan-2-yl)-1,3-thiazole;2-ethyl-4-methyl-3-propan-2-ylpyridine;1-methyl-2,3-di(propan-2-yl)benzene;4-methyl-1,5-di(propan-2-yl)pyrazole;4-methyl-2,3-di(propan-2-yl)pyridine;5-[1-(2-propan-2-ylphenyl)ethyl]-1,3-oxazole;2,3,4-tri(propan-2-yl)pyridine
SMILESCC(C)c1ccccc1C(C)(C)C.CC(C)c1ccccc1C(C)c1cnco1.CC(C)c1ccccc1N1CCC(F)(F)C1.CC(C)c1cccnc1N1CCC(F)(F)C1.CC(C)c1ccnc(C(C)C)c1C(C)C.CC(C)c1ncsc1C(C)C.CCc1c[nH]c(CC)c1C(C)C.CCc1nccc(C)c1C(C)C.Cc1cccc(C(C)C)c1C(C)C.Cc1ccnc(C(C)C)c1C(C)C.Cc1ccnc(C2CC2)c1C(C)C.Cc1cnn(C(C)C)c1C(C)C
InChIInChI=1S/C14H17NO.C14H23N.C13H17F2N.2C13H20.C12H16F2N2.C12H17N.C12H19N.C11H17N.C11H19N.C10H18N2.C9H15NS/c1-10(2)12-6-4-5-7-13(12)11(3)14-8-15-9-16-14;1-9(2)12-7-8-15-14(11(5)6)13(12)10(3)4;1-10(2)11-5-3-4-6-12(11)16-8-7-13(14,15)9-16;1-10(2)11-8-6-7-9-12(11)13(3,4)5;1-9(2)12-8-6-7-11(5)13(12)10(3)4;1-9(2)10-4-3-6-15-11(10)16-7-5-12(13,14)8-16;1-8(2)11-9(3)6-7-13-12(11)10-4-5-10;1-8(2)11-10(5)6-7-13-12(11)9(3)4;1-5-10-11(8(2)3)9(4)6-7-12-10;1-5-9-7-12-10(6-2)11(9)8(3)4;1-7(2)10-9(5)6-11-12(10)8(3)4;1-6(2)8-9(7(3)4)11-5-10-8/h4-11H,1-3H3;7-11H,1-6H3;3-6,10H,7-9H2,1-2H3;2*6-10H,1-5H3;3-4,6,9H,5,7-8H2,1-2H3;6-8,10H,4-5H2,1-3H3;6-9H,1-5H3;6-8H,5H2,1-4H3;7-8,12H,5-6H2,1-4H3;6-8H,1-5H3;5-7H,1-4H3
InChIKeyMJYHVCCILCMUKZ-UHFFFAOYSA-N
XLogP43.11
TPSA143.46 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds26
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002241.47
LogP ≤ 543.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze 1-tert-butyl-2-propan-2-ylbenzene;2-cyclopropyl-4-methyl-3-propan-2-ylpyridine;2,4-diethyl-3-propan-2-yl-1H-pyrrole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;4,5-di(propan-2-yl)-1,3-thiazole;2-ethyl-4-methyl-3-propan-2-ylpyridine;1-methyl-2,3-di(propan-2-yl)benzene;4-methyl-1,5-di(propan-2-yl)pyrazole;4-methyl-2,3-di(propan-2-yl)pyridine;5-[1-(2-propan-2-ylphenyl)ethyl]-1,3-oxazole;2,3,4-tri(propan-2-yl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-propan-2-ylbenzene;2-cyclopropyl-4-methyl-3-propan-2-ylpyridine;2,4-diethyl-3-propan-2-yl-1H-pyrrole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;4,5-di(propan-2-yl)-1,3-thiazole;2-ethyl-4-methyl-3-propan-2-ylpyridine;1-methyl-2,3-di(propan-2-yl)benzene;4-methyl-1,5-di(propan-2-yl)pyrazole;4-methyl-2,3-di(propan-2-yl)pyridine;5-[1-(2-propan-2-ylphenyl)ethyl]-1,3-oxazole;2,3,4-tri(propan-2-yl)pyridine?
The IUPAC name of 1-tert-butyl-2-propan-2-ylbenzene;2-cyclopropyl-4-methyl-3-propan-2-ylpyridine;2,4-diethyl-3-propan-2-yl-1H-pyrrole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;4,5-di(propan-2-yl)-1,3-thiazole;2-ethyl-4-methyl-3-propan-2-ylpyridine;1-methyl-2,3-di(propan-2-yl)benzene;4-methyl-1,5-di(propan-2-yl)pyrazole;4-methyl-2,3-di(propan-2-yl)pyridine;5-[1-(2-propan-2-ylphenyl)ethyl]-1,3-oxazole;2,3,4-tri(propan-2-yl)pyridine (CID 159588597) is 1-tert-butyl-2-propan-2-ylbenzene;2-cyclopropyl-4-methyl-3-propan-2-ylpyridine;2,4-diethyl-3-propan-2-yl-1H-pyrrole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;4,5-di(propan-2-yl)-1,3-thiazole;2-ethyl-4-methyl-3-propan-2-ylpyridine;1-methyl-2,3-di(propan-2-yl)benzene;4-methyl-1,5-di(propan-2-yl)pyrazole;4-methyl-2,3-di(propan-2-yl)pyridine;5-[1-(2-propan-2-ylphenyl)ethyl]-1,3-oxazole;2,3,4-tri(propan-2-yl)pyridine.
What is the SMILES notation for 1-tert-butyl-2-propan-2-ylbenzene;2-cyclopropyl-4-methyl-3-propan-2-ylpyridine;2,4-diethyl-3-propan-2-yl-1H-pyrrole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;4,5-di(propan-2-yl)-1,3-thiazole;2-ethyl-4-methyl-3-propan-2-ylpyridine;1-methyl-2,3-di(propan-2-yl)benzene;4-methyl-1,5-di(propan-2-yl)pyrazole;4-methyl-2,3-di(propan-2-yl)pyridine;5-[1-(2-propan-2-ylphenyl)ethyl]-1,3-oxazole;2,3,4-tri(propan-2-yl)pyridine?
The canonical SMILES for 1-tert-butyl-2-propan-2-ylbenzene;2-cyclopropyl-4-methyl-3-propan-2-ylpyridine;2,4-diethyl-3-propan-2-yl-1H-pyrrole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;4,5-di(propan-2-yl)-1,3-thiazole;2-ethyl-4-methyl-3-propan-2-ylpyridine;1-methyl-2,3-di(propan-2-yl)benzene;4-methyl-1,5-di(propan-2-yl)pyrazole;4-methyl-2,3-di(propan-2-yl)pyridine;5-[1-(2-propan-2-ylphenyl)ethyl]-1,3-oxazole;2,3,4-tri(propan-2-yl)pyridine is CC(C)c1ccccc1C(C)(C)C.CC(C)c1ccccc1C(C)c1cnco1.CC(C)c1ccccc1N1CCC(F)(F)C1.CC(C)c1cccnc1N1CCC(F)(F)C1.CC(C)c1ccnc(C(C)C)c1C(C)C.CC(C)c1ncsc1C(C)C.CCc1c[nH]c(CC)c1C(C)C.CCc1nccc(C)c1C(C)C.Cc1cccc(C(C)C)c1C(C)C.Cc1ccnc(C(C)C)c1C(C)C.Cc1ccnc(C2CC2)c1C(C)C.Cc1cnn(C(C)C)c1C(C)C.
What is the InChIKey of 1-tert-butyl-2-propan-2-ylbenzene;2-cyclopropyl-4-methyl-3-propan-2-ylpyridine;2,4-diethyl-3-propan-2-yl-1H-pyrrole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;4,5-di(propan-2-yl)-1,3-thiazole;2-ethyl-4-methyl-3-propan-2-ylpyridine;1-methyl-2,3-di(propan-2-yl)benzene;4-methyl-1,5-di(propan-2-yl)pyrazole;4-methyl-2,3-di(propan-2-yl)pyridine;5-[1-(2-propan-2-ylphenyl)ethyl]-1,3-oxazole;2,3,4-tri(propan-2-yl)pyridine?
The InChIKey is MJYHVCCILCMUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO.C14H23N.C13H17F2N.2C13H20.C12H16F2N2.C12H17N.C12H19N.C11H17N.C11H19N.C10H18N2.C9H15NS/c1-10(2)12-6-4-5-7-13(12)11(3)14-8-15-9-16-14;1-9(2)12-7-8-15-14(11(5)6)13(12)10(3)4;1-10(2)11-5-3-4-6-12(11)16-8-7-13(14,15)9-16;1-10(2)11-8-6-7-9-12(11)13(3,4)5;1-9(2)12-8-6-7-11(5)13(12)10(3)4;1-9(2)10-4-3-6-15-11(10)16-7-5-12(13,14)8-16;1-8(2)11-9(3)6-7-13-12(11)10-4-5-10;1-8(2)11-10(5)6-7-13-12(11)9(3)4;1-5-10-11(8(2)3)9(4)6-7-12-10;1-5-9-7-12-10(6-2)11(9)8(3)4;1-7(2)10-9(5)6-11-12(10)8(3)4;1-6(2)8-9(7(3)4)11-5-10-8/h4-11H,1-3H3;7-11H,1-6H3;3-6,10H,7-9H2,1-2H3;2*6-10H,1-5H3;3-4,6,9H,5,7-8H2,1-2H3;6-8,10H,4-5H2,1-3H3;6-9H,1-5H3;6-8H,5H2,1-4H3;7-8,12H,5-6H2,1-4H3;6-8H,1-5H3;5-7H,1-4H3.
What are the key properties of 1-tert-butyl-2-propan-2-ylbenzene;2-cyclopropyl-4-methyl-3-propan-2-ylpyridine;2,4-diethyl-3-propan-2-yl-1H-pyrrole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;4,5-di(propan-2-yl)-1,3-thiazole;2-ethyl-4-methyl-3-propan-2-ylpyridine;1-methyl-2,3-di(propan-2-yl)benzene;4-methyl-1,5-di(propan-2-yl)pyrazole;4-methyl-2,3-di(propan-2-yl)pyridine;5-[1-(2-propan-2-ylphenyl)ethyl]-1,3-oxazole;2,3,4-tri(propan-2-yl)pyridine?
1-tert-butyl-2-propan-2-ylbenzene;2-cyclopropyl-4-methyl-3-propan-2-ylpyridine;2,4-diethyl-3-propan-2-yl-1H-pyrrole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;4,5-di(propan-2-yl)-1,3-thiazole;2-ethyl-4-methyl-3-propan-2-ylpyridine;1-methyl-2,3-di(propan-2-yl)benzene;4-methyl-1,5-di(propan-2-yl)pyrazole;4-methyl-2,3-di(propan-2-yl)pyridine;5-[1-(2-propan-2-ylphenyl)ethyl]-1,3-oxazole;2,3,4-tri(propan-2-yl)pyridine has a molecular weight of 2241.47 g/mol, XLogP of 43.11, 26 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-propan-2-ylbenzene;2-cyclopropyl-4-methyl-3-propan-2-ylpyridine;2,4-diethyl-3-propan-2-yl-1H-pyrrole;3,3-difluoro-1-(2-propan-2-ylphenyl)pyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;4,5-di(propan-2-yl)-1,3-thiazole;2-ethyl-4-methyl-3-propan-2-ylpyridine;1-methyl-2,3-di(propan-2-yl)benzene;4-methyl-1,5-di(propan-2-yl)pyrazole;4-methyl-2,3-di(propan-2-yl)pyridine;5-[1-(2-propan-2-ylphenyl)ethyl]-1,3-oxazole;2,3,4-tri(propan-2-yl)pyridine is sourced from PubChem (CID 159588597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).