1-tert-butylcyclohexene;6-tert-butyl-2-cyclopropylpyrazolo[1,5-a]pyrimidine;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;6-tert-butyl-2-ethylpyrazolo[1,5-a]pyrimidine;7-tert-butyl-2-fluoro-[1,2,4]triazolo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyrimidine;3-tert-butyl-7-methylimidazo[1,2-a]pyrimidine;6-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine;5-tert-butyl-1-methylpyrimidin-2-one;6-tert-butyl-2-methyl-[1,2,4]triazolo[1,5-a]pyridine;7-tert-butyl-2-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-tert-butylpyrazolo[1,5-a]pyrimidine;2-(4-tert-butylpyrazol-1-yl)-5-fluoropyrimidine;2-(4-tert-butylpyrazol-1-yl)pyrimidine;3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;7-tert-butyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine;2,6-ditert-butylpyrazolo[1,5-a]pyrimidine

C186H258F5N47O — CID 157364601

IUPAC1-tert-butylcyclohexene;6-tert-butyl-2-cyclopropylpyrazolo[1,5-a]pyrimidine;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;6-tert-butyl-2-ethylpyrazolo[1,5-a]pyrimidine;7-tert-butyl-2-fluoro-[1,2,4]triazolo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyrimidine;3-tert-butyl-7-methylimidazo[1,2-a]pyrimidine;6-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine;5-tert-butyl-1-methylpyrimidin-2-one;6-tert-butyl-2-methyl-[1,2,4]triazolo[1,5-a]pyridine;7-tert-butyl-2-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-tert-butylpyrazolo[1,5-a]pyrimidine;2-(4-tert-butylpyrazol-1-yl)-5-fluoropyrimidine;2-(4-tert-butylpyrazol-1-yl)pyrimidine;3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;7-tert-butyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine;2,6-ditert-butylpyrazolo[1,5-a]pyrimidine
SMILESCC(C)(C)C1=CCCCC1.CC(C)(C)c1ccn2nc(C(F)(F)F)nc2c1.CC(C)(C)c1ccn2nc(F)nc2c1.CC(C)(C)c1cnc2cc(C(C)(C)C)nn2c1.CC(C)(C)c1cnc2cc(C3CC3)nn2c1.CC(C)(C)c1cnc2ccnn2c1.CC(C)(C)c1cnc2n1CCCC2.CC(C)(C)c1cnc2ncccn12.CC(C)(C)c1cnn(-c2ncc(F)cn2)c1.CC(C)(C)c1cnn(-c2ncccn2)c1.CC(C)(C)c1cnn2c1CCC2.CCc1cc2ncc(C(C)(C)C)cn2n1.Cc1cc2ncc(C(C)(C)C)cn2n1.Cc1ccn2c(C(C)(C)C)cnc2n1.Cc1nc2cc(C(C)(C)C)ccn2n1.Cc1nc2ccc(C(C)(C)C)cn2n1.Cn1cc(C(C)(C)C)cnc1=O
InChIInChI=1S/C14H21N3.C13H17N3.C12H17N3.C11H12F3N3.C11H13FN4.C11H14N4.4C11H15N3.C11H18N2.C10H12FN3.2C10H13N3.C10H16N2.C10H18.C9H14N2O/c1-13(2,3)10-8-15-12-7-11(14(4,5)6)16-17(12)9-10;1-13(2,3)10-7-14-12-6-11(9-4-5-9)15-16(12)8-10;1-5-10-6-11-13-7-9(12(2,3)4)8-15(11)14-10;1-10(2,3)7-4-5-17-8(6-7)15-9(16-17)11(12,13)14;1-11(2,3)8-4-15-16(7-8)10-13-5-9(12)6-14-10;1-11(2,3)9-7-14-15(8-9)10-12-5-4-6-13-10;1-8-5-10-12-6-9(11(2,3)4)7-14(10)13-8;1-8-12-10-7-9(11(2,3)4)5-6-14(10)13-8;1-8-12-10-6-5-9(11(2,3)4)7-14(10)13-8;1-8-5-6-14-9(11(2,3)4)7-12-10(14)13-8;1-11(2,3)9-8-12-10-6-4-5-7-13(9)10;1-10(2,3)7-4-5-14-8(6-7)12-9(11)13-14;1-10(2,3)8-6-11-9-4-5-12-13(9)7-8;1-10(2,3)8-7-12-9-11-5-4-6-13(8)9;1-10(2,3)8-7-11-12-6-4-5-9(8)12;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)7-5-10-8(12)11(4)6-7/h7-9H,1-6H3;6-9H,4-5H2,1-3H3;6-8H,5H2,1-4H3;4-6H,1-3H3;4-7H,1-3H3;4-8H,1-3H3;4*5-7H,1-4H3;8H,4-7H2,1-3H3;4-6H,1-3H3;2*4-7H,1-3H3;7H,4-6H2,1-3H3;7H,4-6,8H2,1-3H3;5-6H,1-4H3
InChIKeyBJANFGFETAYAPC-UHFFFAOYSA-N
MW3263.43 g/mol
LogP40.74
Rot. Bonds4

About 1-tert-butylcyclohexene;6-tert-butyl-2-cyclopropylpyrazolo[1,5-a]pyrimidine;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;6-tert-butyl-2-ethylpyrazolo[1,5-a]pyrimidine;7-tert-butyl-2-fluoro-[1,2,4]triazolo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyrimidine;3-tert-butyl-7-methylimidazo[1,2-a]pyrimidine;6-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine;5-tert-butyl-1-methylpyrimidin-2-one;6-tert-butyl-2-methyl-[1,2,4]triazolo[1,5-a]pyridine;7-tert-butyl-2-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-tert-butylpyrazolo[1,5-a]pyrimidine;2-(4-tert-butylpyrazol-1-yl)-5-fluoropyrimidine;2-(4-tert-butylpyrazol-1-yl)pyrimidine;3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;7-tert-butyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine;2,6-ditert-butylpyrazolo[1,5-a]pyrimidine

1-tert-butylcyclohexene;6-tert-butyl-2-cyclopropylpyrazolo[1,5-a]pyrimidine;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;6-tert-butyl-2-ethylpyrazolo[1,5-a]pyrimidine;7-tert-butyl-2-fluoro-[1,2,4]triazolo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyrimidine;3-tert-butyl-7-methylimidazo[1,2-a]pyrimidine;6-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine;5-tert-butyl-1-methylpyrimidin-2-one;6-tert-butyl-2-methyl-[1,2,4]triazolo[1,5-a]pyridine;7-tert-butyl-2-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-tert-butylpyrazolo[1,5-a]pyrimidine;2-(4-tert-butylpyrazol-1-yl)-5-fluoropyrimidine;2-(4-tert-butylpyrazol-1-yl)pyrimidine;3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;7-tert-butyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine;2,6-ditert-butylpyrazolo[1,5-a]pyrimidine (PubChem CID 157364601) has the molecular formula C186H258F5N47O and a molecular weight of 3263.43 g/mol. Its IUPAC name is 1-tert-butylcyclohexene;6-tert-butyl-2-cyclopropylpyrazolo[1,5-a]pyrimidine;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;6-tert-butyl-2-ethylpyrazolo[1,5-a]pyrimidine;7-tert-butyl-2-fluoro-[1,2,4]triazolo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyrimidine;3-tert-butyl-7-methylimidazo[1,2-a]pyrimidine;6-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine;5-tert-butyl-1-methylpyrimidin-2-one;6-tert-butyl-2-methyl-[1,2,4]triazolo[1,5-a]pyridine;7-tert-butyl-2-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-tert-butylpyrazolo[1,5-a]pyrimidine;2-(4-tert-butylpyrazol-1-yl)-5-fluoropyrimidine;2-(4-tert-butylpyrazol-1-yl)pyrimidine;3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;7-tert-butyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine;2,6-ditert-butylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name1-tert-butylcyclohexene;6-tert-butyl-2-cyclopropylpyrazolo[1,5-a]pyrimidine;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;6-tert-butyl-2-ethylpyrazolo[1,5-a]pyrimidine;7-tert-butyl-2-fluoro-[1,2,4]triazolo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyrimidine;3-tert-butyl-7-methylimidazo[1,2-a]pyrimidine;6-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine;5-tert-butyl-1-methylpyrimidin-2-one;6-tert-butyl-2-methyl-[1,2,4]triazolo[1,5-a]pyridine;7-tert-butyl-2-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-tert-butylpyrazolo[1,5-a]pyrimidine;2-(4-tert-butylpyrazol-1-yl)-5-fluoropyrimidine;2-(4-tert-butylpyrazol-1-yl)pyrimidine;3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;7-tert-butyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine;2,6-ditert-butylpyrazolo[1,5-a]pyrimidine
PubChem CID157364601
Molecular FormulaC186H258F5N47O
Molecular Weight3263.43 g/mol
Exact Mass3261.15
IUPAC Name1-tert-butylcyclohexene;6-tert-butyl-2-cyclopropylpyrazolo[1,5-a]pyrimidine;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;6-tert-butyl-2-ethylpyrazolo[1,5-a]pyrimidine;7-tert-butyl-2-fluoro-[1,2,4]triazolo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyrimidine;3-tert-butyl-7-methylimidazo[1,2-a]pyrimidine;6-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine;5-tert-butyl-1-methylpyrimidin-2-one;6-tert-butyl-2-methyl-[1,2,4]triazolo[1,5-a]pyridine;7-tert-butyl-2-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-tert-butylpyrazolo[1,5-a]pyrimidine;2-(4-tert-butylpyrazol-1-yl)-5-fluoropyrimidine;2-(4-tert-butylpyrazol-1-yl)pyrimidine;3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;7-tert-butyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine;2,6-ditert-butylpyrazolo[1,5-a]pyrimidine
SMILESCC(C)(C)C1=CCCCC1.CC(C)(C)c1ccn2nc(C(F)(F)F)nc2c1.CC(C)(C)c1ccn2nc(F)nc2c1.CC(C)(C)c1cnc2cc(C(C)(C)C)nn2c1.CC(C)(C)c1cnc2cc(C3CC3)nn2c1.CC(C)(C)c1cnc2ccnn2c1.CC(C)(C)c1cnc2n1CCCC2.CC(C)(C)c1cnc2ncccn12.CC(C)(C)c1cnn(-c2ncc(F)cn2)c1.CC(C)(C)c1cnn(-c2ncccn2)c1.CC(C)(C)c1cnn2c1CCC2.CCc1cc2ncc(C(C)(C)C)cn2n1.Cc1cc2ncc(C(C)(C)C)cn2n1.Cc1ccn2c(C(C)(C)C)cnc2n1.Cc1nc2cc(C(C)(C)C)ccn2n1.Cc1nc2ccc(C(C)(C)C)cn2n1.Cn1cc(C(C)(C)C)cnc1=O
InChIInChI=1S/C14H21N3.C13H17N3.C12H17N3.C11H12F3N3.C11H13FN4.C11H14N4.4C11H15N3.C11H18N2.C10H12FN3.2C10H13N3.C10H16N2.C10H18.C9H14N2O/c1-13(2,3)10-8-15-12-7-11(14(4,5)6)16-17(12)9-10;1-13(2,3)10-7-14-12-6-11(9-4-5-9)15-16(12)8-10;1-5-10-6-11-13-7-9(12(2,3)4)8-15(11)14-10;1-10(2,3)7-4-5-17-8(6-7)15-9(16-17)11(12,13)14;1-11(2,3)8-4-15-16(7-8)10-13-5-9(12)6-14-10;1-11(2,3)9-7-14-15(8-9)10-12-5-4-6-13-10;1-8-5-10-12-6-9(11(2,3)4)7-14(10)13-8;1-8-12-10-7-9(11(2,3)4)5-6-14(10)13-8;1-8-12-10-6-5-9(11(2,3)4)7-14(10)13-8;1-8-5-6-14-9(11(2,3)4)7-12-10(14)13-8;1-11(2,3)9-8-12-10-6-4-5-7-13(9)10;1-10(2,3)7-4-5-14-8(6-7)12-9(11)13-14;1-10(2,3)8-6-11-9-4-5-12-13(9)7-8;1-10(2,3)8-7-12-9-11-5-4-6-13(8)9;1-10(2,3)8-7-11-12-6-4-5-9(8)12;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)7-5-10-8(12)11(4)6-7/h7-9H,1-6H3;6-9H,4-5H2,1-3H3;6-8H,5H2,1-4H3;4-6H,1-3H3;4-7H,1-3H3;4-8H,1-3H3;4*5-7H,1-4H3;8H,4-7H2,1-3H3;4-6H,1-3H3;2*4-7H,1-3H3;7H,4-6H2,1-3H3;7H,4-6,8H2,1-3H3;5-6H,1-4H3
InChIKeyBJANFGFETAYAPC-UHFFFAOYSA-N
XLogP40.74
TPSA489.82 Ų
H-Bond Donors
H-Bond Acceptors48
Rotatable Bonds4
Heavy Atoms239
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003263.43
LogP ≤ 540.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

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

Analyze 1-tert-butylcyclohexene;6-tert-butyl-2-cyclopropylpyrazolo[1,5-a]pyrimidine;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;6-tert-butyl-2-ethylpyrazolo[1,5-a]pyrimidine;7-tert-butyl-2-fluoro-[1,2,4]triazolo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyrimidine;3-tert-butyl-7-methylimidazo[1,2-a]pyrimidine;6-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine;5-tert-butyl-1-methylpyrimidin-2-one;6-tert-butyl-2-methyl-[1,2,4]triazolo[1,5-a]pyridine;7-tert-butyl-2-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-tert-butylpyrazolo[1,5-a]pyrimidine;2-(4-tert-butylpyrazol-1-yl)-5-fluoropyrimidine;2-(4-tert-butylpyrazol-1-yl)pyrimidine;3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;7-tert-butyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine;2,6-ditert-butylpyrazolo[1,5-a]pyrimidine with MolForge

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Related Compounds

5,7-Dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine;6,8-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 87327297
1,2-Bis[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-1,2-bis[8-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]hydrazine
CID 87577660
2-(Difluoromethyl)-3-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine
CID 118278202
2,3-Dimethyl-6-[2-(1-methyl-4-pyrazin-2-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine;3,8-dimethyl-6-[2-(1-methyl-4-pyridin-2-ylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine
CID 118278245
2-[2-[5-[2-[2-[1,1-difluoro-2-(5H-imidazo[2,1-a]isoindol-2-yl)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]ethyl]-8-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-1,1-difluoroethyl]-5H-imidazo[2,1-a]isoindole
CID 123428996
4-[3-[3-[(4-fluorophenyl)methyl]-1-methylpyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-6-[2-methyl-5-[1-[2-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]triazol-4-yl]phenyl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 123831832
6-[3-[2-[[4-[6-Cyano-2-[3-[2-[[4-[6-cyano-2-[1-[2-[[4-[6-cyano-5-fluoro-2-(3-methylimidazo[4,5-b]pyridin-6-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-2-methylcyclopentyl]benzimidazol-5-yl]-5-fluoro-3-pyridinyl]pyrazol-1-yl]methyl]-2-methylcyclopentyl]imidazo[1,2-a]pyridin-7-yl]-5-fluoro-3-pyridinyl]pyrazol-1-yl]methyl]-2-methylcyclopentyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-3-fluoro-5-(1-methylpyrazol-4-yl)pyridine-2-carbonitrile
CID 137388808
6-[6-(Difluoromethyl)-3-(1-methylpyrazol-4-yl)pyridin-2-yl]-3-[3-[[4-[4-fluoro-2-(3-methylimidazo[4,5-b]pyridin-6-yl)pyridin-3-yl]pyrazol-1-yl]methyl]-3-methylcyclopentyl]imidazo[4,5-b]pyridine
CID 137388840
5-[1-[3-[7-[3-[1-(3,3-Difluoro-2,2-dimethylpropyl)pyrazol-4-yl]-5-fluoropyridin-2-yl]-2-methylimidazo[1,2-a]pyridin-3-yl]-2,2-dimethylpropyl]pyrazol-4-yl]-6-[2-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyridine-2-carbonitrile
CID 137389998
5-[1-[2-[[7-[6-Cyano-3-[1-(3,3,3-trifluoro-2,2-dimethylpropyl)pyrazol-4-yl]pyridin-2-yl]imidazo[1,2-a]pyridin-3-yl]methyl]-2-methylbutyl]pyrazol-4-yl]-6-imidazo[1,2-a]pyridin-7-ylpyridine-2-carbonitrile
CID 137390422
6-[3-[2-Cyano-3-[4-(6-cyano-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)pyrazol-1-yl]-2-methylpropyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-5-[1-(3-fluoro-3-methylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile
CID 137391877
6-[6-(Difluoromethyl)-3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-3-[[3-[[4-[4-fluoro-2-(3-methylimidazo[4,5-b]pyridin-6-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-3-methylcyclopentyl]methyl]imidazo[4,5-b]pyridine
CID 137392130

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylcyclohexene;6-tert-butyl-2-cyclopropylpyrazolo[1,5-a]pyrimidine;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;6-tert-butyl-2-ethylpyrazolo[1,5-a]pyrimidine;7-tert-butyl-2-fluoro-[1,2,4]triazolo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyrimidine;3-tert-butyl-7-methylimidazo[1,2-a]pyrimidine;6-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine;5-tert-butyl-1-methylpyrimidin-2-one;6-tert-butyl-2-methyl-[1,2,4]triazolo[1,5-a]pyridine;7-tert-butyl-2-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-tert-butylpyrazolo[1,5-a]pyrimidine;2-(4-tert-butylpyrazol-1-yl)-5-fluoropyrimidine;2-(4-tert-butylpyrazol-1-yl)pyrimidine;3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;7-tert-butyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine;2,6-ditert-butylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 1-tert-butylcyclohexene;6-tert-butyl-2-cyclopropylpyrazolo[1,5-a]pyrimidine;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;6-tert-butyl-2-ethylpyrazolo[1,5-a]pyrimidine;7-tert-butyl-2-fluoro-[1,2,4]triazolo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyrimidine;3-tert-butyl-7-methylimidazo[1,2-a]pyrimidine;6-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine;5-tert-butyl-1-methylpyrimidin-2-one;6-tert-butyl-2-methyl-[1,2,4]triazolo[1,5-a]pyridine;7-tert-butyl-2-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-tert-butylpyrazolo[1,5-a]pyrimidine;2-(4-tert-butylpyrazol-1-yl)-5-fluoropyrimidine;2-(4-tert-butylpyrazol-1-yl)pyrimidine;3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;7-tert-butyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine;2,6-ditert-butylpyrazolo[1,5-a]pyrimidine (CID 157364601) is 1-tert-butylcyclohexene;6-tert-butyl-2-cyclopropylpyrazolo[1,5-a]pyrimidine;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;6-tert-butyl-2-ethylpyrazolo[1,5-a]pyrimidine;7-tert-butyl-2-fluoro-[1,2,4]triazolo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyrimidine;3-tert-butyl-7-methylimidazo[1,2-a]pyrimidine;6-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine;5-tert-butyl-1-methylpyrimidin-2-one;6-tert-butyl-2-methyl-[1,2,4]triazolo[1,5-a]pyridine;7-tert-butyl-2-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-tert-butylpyrazolo[1,5-a]pyrimidine;2-(4-tert-butylpyrazol-1-yl)-5-fluoropyrimidine;2-(4-tert-butylpyrazol-1-yl)pyrimidine;3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;7-tert-butyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine;2,6-ditert-butylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 1-tert-butylcyclohexene;6-tert-butyl-2-cyclopropylpyrazolo[1,5-a]pyrimidine;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;6-tert-butyl-2-ethylpyrazolo[1,5-a]pyrimidine;7-tert-butyl-2-fluoro-[1,2,4]triazolo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyrimidine;3-tert-butyl-7-methylimidazo[1,2-a]pyrimidine;6-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine;5-tert-butyl-1-methylpyrimidin-2-one;6-tert-butyl-2-methyl-[1,2,4]triazolo[1,5-a]pyridine;7-tert-butyl-2-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-tert-butylpyrazolo[1,5-a]pyrimidine;2-(4-tert-butylpyrazol-1-yl)-5-fluoropyrimidine;2-(4-tert-butylpyrazol-1-yl)pyrimidine;3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;7-tert-butyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine;2,6-ditert-butylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 1-tert-butylcyclohexene;6-tert-butyl-2-cyclopropylpyrazolo[1,5-a]pyrimidine;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;6-tert-butyl-2-ethylpyrazolo[1,5-a]pyrimidine;7-tert-butyl-2-fluoro-[1,2,4]triazolo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyrimidine;3-tert-butyl-7-methylimidazo[1,2-a]pyrimidine;6-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine;5-tert-butyl-1-methylpyrimidin-2-one;6-tert-butyl-2-methyl-[1,2,4]triazolo[1,5-a]pyridine;7-tert-butyl-2-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-tert-butylpyrazolo[1,5-a]pyrimidine;2-(4-tert-butylpyrazol-1-yl)-5-fluoropyrimidine;2-(4-tert-butylpyrazol-1-yl)pyrimidine;3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;7-tert-butyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine;2,6-ditert-butylpyrazolo[1,5-a]pyrimidine is CC(C)(C)C1=CCCCC1.CC(C)(C)c1ccn2nc(C(F)(F)F)nc2c1.CC(C)(C)c1ccn2nc(F)nc2c1.CC(C)(C)c1cnc2cc(C(C)(C)C)nn2c1.CC(C)(C)c1cnc2cc(C3CC3)nn2c1.CC(C)(C)c1cnc2ccnn2c1.CC(C)(C)c1cnc2n1CCCC2.CC(C)(C)c1cnc2ncccn12.CC(C)(C)c1cnn(-c2ncc(F)cn2)c1.CC(C)(C)c1cnn(-c2ncccn2)c1.CC(C)(C)c1cnn2c1CCC2.CCc1cc2ncc(C(C)(C)C)cn2n1.Cc1cc2ncc(C(C)(C)C)cn2n1.Cc1ccn2c(C(C)(C)C)cnc2n1.Cc1nc2cc(C(C)(C)C)ccn2n1.Cc1nc2ccc(C(C)(C)C)cn2n1.Cn1cc(C(C)(C)C)cnc1=O.
What is the InChIKey of 1-tert-butylcyclohexene;6-tert-butyl-2-cyclopropylpyrazolo[1,5-a]pyrimidine;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;6-tert-butyl-2-ethylpyrazolo[1,5-a]pyrimidine;7-tert-butyl-2-fluoro-[1,2,4]triazolo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyrimidine;3-tert-butyl-7-methylimidazo[1,2-a]pyrimidine;6-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine;5-tert-butyl-1-methylpyrimidin-2-one;6-tert-butyl-2-methyl-[1,2,4]triazolo[1,5-a]pyridine;7-tert-butyl-2-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-tert-butylpyrazolo[1,5-a]pyrimidine;2-(4-tert-butylpyrazol-1-yl)-5-fluoropyrimidine;2-(4-tert-butylpyrazol-1-yl)pyrimidine;3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;7-tert-butyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine;2,6-ditert-butylpyrazolo[1,5-a]pyrimidine?
The InChIKey is BJANFGFETAYAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3.C13H17N3.C12H17N3.C11H12F3N3.C11H13FN4.C11H14N4.4C11H15N3.C11H18N2.C10H12FN3.2C10H13N3.C10H16N2.C10H18.C9H14N2O/c1-13(2,3)10-8-15-12-7-11(14(4,5)6)16-17(12)9-10;1-13(2,3)10-7-14-12-6-11(9-4-5-9)15-16(12)8-10;1-5-10-6-11-13-7-9(12(2,3)4)8-15(11)14-10;1-10(2,3)7-4-5-17-8(6-7)15-9(16-17)11(12,13)14;1-11(2,3)8-4-15-16(7-8)10-13-5-9(12)6-14-10;1-11(2,3)9-7-14-15(8-9)10-12-5-4-6-13-10;1-8-5-10-12-6-9(11(2,3)4)7-14(10)13-8;1-8-12-10-7-9(11(2,3)4)5-6-14(10)13-8;1-8-12-10-6-5-9(11(2,3)4)7-14(10)13-8;1-8-5-6-14-9(11(2,3)4)7-12-10(14)13-8;1-11(2,3)9-8-12-10-6-4-5-7-13(9)10;1-10(2,3)7-4-5-14-8(6-7)12-9(11)13-14;1-10(2,3)8-6-11-9-4-5-12-13(9)7-8;1-10(2,3)8-7-12-9-11-5-4-6-13(8)9;1-10(2,3)8-7-11-12-6-4-5-9(8)12;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)7-5-10-8(12)11(4)6-7/h7-9H,1-6H3;6-9H,4-5H2,1-3H3;6-8H,5H2,1-4H3;4-6H,1-3H3;4-7H,1-3H3;4-8H,1-3H3;4*5-7H,1-4H3;8H,4-7H2,1-3H3;4-6H,1-3H3;2*4-7H,1-3H3;7H,4-6H2,1-3H3;7H,4-6,8H2,1-3H3;5-6H,1-4H3.
What are the key properties of 1-tert-butylcyclohexene;6-tert-butyl-2-cyclopropylpyrazolo[1,5-a]pyrimidine;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;6-tert-butyl-2-ethylpyrazolo[1,5-a]pyrimidine;7-tert-butyl-2-fluoro-[1,2,4]triazolo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyrimidine;3-tert-butyl-7-methylimidazo[1,2-a]pyrimidine;6-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine;5-tert-butyl-1-methylpyrimidin-2-one;6-tert-butyl-2-methyl-[1,2,4]triazolo[1,5-a]pyridine;7-tert-butyl-2-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-tert-butylpyrazolo[1,5-a]pyrimidine;2-(4-tert-butylpyrazol-1-yl)-5-fluoropyrimidine;2-(4-tert-butylpyrazol-1-yl)pyrimidine;3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;7-tert-butyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine;2,6-ditert-butylpyrazolo[1,5-a]pyrimidine?
1-tert-butylcyclohexene;6-tert-butyl-2-cyclopropylpyrazolo[1,5-a]pyrimidine;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;6-tert-butyl-2-ethylpyrazolo[1,5-a]pyrimidine;7-tert-butyl-2-fluoro-[1,2,4]triazolo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyrimidine;3-tert-butyl-7-methylimidazo[1,2-a]pyrimidine;6-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine;5-tert-butyl-1-methylpyrimidin-2-one;6-tert-butyl-2-methyl-[1,2,4]triazolo[1,5-a]pyridine;7-tert-butyl-2-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-tert-butylpyrazolo[1,5-a]pyrimidine;2-(4-tert-butylpyrazol-1-yl)-5-fluoropyrimidine;2-(4-tert-butylpyrazol-1-yl)pyrimidine;3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;7-tert-butyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine;2,6-ditert-butylpyrazolo[1,5-a]pyrimidine has a molecular weight of 3263.43 g/mol, XLogP of 40.74, 4 rotatable bonds, 0 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylcyclohexene;6-tert-butyl-2-cyclopropylpyrazolo[1,5-a]pyrimidine;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;6-tert-butyl-2-ethylpyrazolo[1,5-a]pyrimidine;7-tert-butyl-2-fluoro-[1,2,4]triazolo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyrimidine;3-tert-butyl-7-methylimidazo[1,2-a]pyrimidine;6-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine;5-tert-butyl-1-methylpyrimidin-2-one;6-tert-butyl-2-methyl-[1,2,4]triazolo[1,5-a]pyridine;7-tert-butyl-2-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-tert-butylpyrazolo[1,5-a]pyrimidine;2-(4-tert-butylpyrazol-1-yl)-5-fluoropyrimidine;2-(4-tert-butylpyrazol-1-yl)pyrimidine;3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;7-tert-butyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine;2,6-ditert-butylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 157364601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).