tert-butylcycloheptane;tetrakis(tert-butylcyclohexane);bis(tert-butylcyclopentane);2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;2-tert-butyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine;2-tert-butyl-6-methylidene-5,7-dihydropyrrolo[2,3-d]pyrimidine;2-tert-butyl-1-methylidene-1,2-thiazolidine 1-oxide;4-tert-butylmorpholine;4-tert-butyloxane;2-tert-butyloxolane;1-tert-butylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpiperidin-2-one;2-tert-butyl-7H-purine;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;bis(3-tert-butylpyridine);bis(4-tert-butylpyridine);2-tert-butylpyrimidine;4-tert-butylpyrimidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one;bis(2-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine);2-tert-butyl-1,3,5-triazine;3-tert-butyl-1,2,4-triazine

C321H564N48O6S — CID 158849708

IUPACtert-butylcycloheptane;tetrakis(tert-butylcyclohexane);bis(tert-butylcyclopentane);2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;2-tert-butyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine;2-tert-butyl-6-methylidene-5,7-dihydropyrrolo[2,3-d]pyrimidine;2-tert-butyl-1-methylidene-1,2-thiazolidine 1-oxide;4-tert-butylmorpholine;4-tert-butyloxane;2-tert-butyloxolane;1-tert-butylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpiperidin-2-one;2-tert-butyl-7H-purine;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;bis(3-tert-butylpyridine);bis(4-tert-butylpyridine);2-tert-butylpyrimidine;4-tert-butylpyrimidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one;bis(2-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine);2-tert-butyl-1,3,5-triazine;3-tert-butyl-1,2,4-triazine
SMILESC=C1Cc2cnc(C(C)(C)C)nc2N1.C=S1(=O)CCCN1C(C)(C)C.CC(C)(C)C1CCCC1.CC(C)(C)C1CCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCCCC1.CC(C)(C)C1CCCN1.CC(C)(C)C1CCCO1.CC(C)(C)C1CCNC1.CC(C)(C)C1CCOCC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCC1=O.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1=O.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCOCC1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnn1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncn1.CC(C)(C)c1cnccn1.CC(C)(C)c1ncc2[nH]cnc2n1.CC(C)(C)c1ncc2c(n1)CCC2.CC(C)(C)c1ncc2c(n1)NCC2.CC(C)(C)c1ncc2cc[nH]c2n1.CC(C)(C)c1ncc2cc[nH]c2n1.CC(C)(C)c1ncccn1.CC(C)(C)c1nccnn1.CC(C)(C)c1ncncn1
InChIInChI=1S/C11H15N3.C11H16N2.C11H22.C10H15N3.2C10H13N3.4C10H20.C9H12N4.C9H17NO.4C9H13N.2C9H19N.C9H13N.C9H18O.2C9H18.C8H18N2.4C8H12N2.C8H17NOS.C8H17NO.C8H15NO.3C8H17N.C8H16O.2C7H11N3/c1-7-5-8-6-12-10(11(2,3)4)14-9(8)13-7;1-11(2,3)10-12-7-8-5-4-6-9(8)13-10;1-11(2,3)10-8-6-4-5-7-9-10;3*1-10(2,3)9-12-6-7-4-5-11-8(7)13-9;4*1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-10-4-6-7(13-8)12-5-11-6;1-9(2,3)10-7-5-4-6-8(10)11;2*1-9(2,3)8-4-6-10-7-5-8;2*1-9(2,3)8-5-4-6-10-7-8;2*1-9(2,3)10-7-5-4-6-8-10;1-9(2,3)8-6-4-5-7-10-8;1-9(2,3)8-4-6-10-7-5-8;2*1-9(2,3)8-6-4-5-7-8;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-5-4-6-9-10-7;1-8(2,3)9-6-5-7-11(9,4)10;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7(9)10;1-8(2,3)7-4-5-9-6-7;1-8(2,3)9-6-4-5-7-9;2*1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-9-4-8-5-10-6;1-7(2,3)6-8-4-5-9-10-6/h6H,1,5H2,2-4H3,(H,12,13,14);7H,4-6H2,1-3H3;10H,4-9H2,1-3H3;6H,4-5H2,1-3H3,(H,11,12,13);2*4-6H,1-3H3,(H,11,12,13);4*9H,4-8H2,1-3H3;4-5H,1-3H3,(H,10,11,12,13);4-7H2,1-3H3;4*4-7H,1-3H3;2*4-8H2,1-3H3;4-7H,1-3H3;8H,4-7H2,1-3H3;2*8H,4-7H2,1-3H3;9H,4-7H2,1-3H3;4*4-6H,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3;4-6H2,1-3H3;7,9H,4-6H2,1-3H3;4-7H2,1-3H3;7,9H,4-6H2,1-3H3;7H,4-6H2,1-3H3;2*4-5H,1-3H3
InChIKeyIZHFJDZOYYAJIR-UHFFFAOYSA-N
MW5224.44 g/mol
LogP79.30
Rot. Bonds

About tert-butylcycloheptane;tetrakis(tert-butylcyclohexane);bis(tert-butylcyclopentane);2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;2-tert-butyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine;2-tert-butyl-6-methylidene-5,7-dihydropyrrolo[2,3-d]pyrimidine;2-tert-butyl-1-methylidene-1,2-thiazolidine 1-oxide;4-tert-butylmorpholine;4-tert-butyloxane;2-tert-butyloxolane;1-tert-butylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpiperidin-2-one;2-tert-butyl-7H-purine;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;bis(3-tert-butylpyridine);bis(4-tert-butylpyridine);2-tert-butylpyrimidine;4-tert-butylpyrimidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one;bis(2-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine);2-tert-butyl-1,3,5-triazine;3-tert-butyl-1,2,4-triazine

tert-butylcycloheptane;tetrakis(tert-butylcyclohexane);bis(tert-butylcyclopentane);2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;2-tert-butyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine;2-tert-butyl-6-methylidene-5,7-dihydropyrrolo[2,3-d]pyrimidine;2-tert-butyl-1-methylidene-1,2-thiazolidine 1-oxide;4-tert-butylmorpholine;4-tert-butyloxane;2-tert-butyloxolane;1-tert-butylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpiperidin-2-one;2-tert-butyl-7H-purine;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;bis(3-tert-butylpyridine);bis(4-tert-butylpyridine);2-tert-butylpyrimidine;4-tert-butylpyrimidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one;bis(2-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine);2-tert-butyl-1,3,5-triazine;3-tert-butyl-1,2,4-triazine (PubChem CID 158849708) has the molecular formula C321H564N48O6S and a molecular weight of 5224.44 g/mol. Its IUPAC name is tert-butylcycloheptane;tetrakis(tert-butylcyclohexane);bis(tert-butylcyclopentane);2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;2-tert-butyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine;2-tert-butyl-6-methylidene-5,7-dihydropyrrolo[2,3-d]pyrimidine;2-tert-butyl-1-methylidene-1,2-thiazolidine 1-oxide;4-tert-butylmorpholine;4-tert-butyloxane;2-tert-butyloxolane;1-tert-butylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpiperidin-2-one;2-tert-butyl-7H-purine;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;bis(3-tert-butylpyridine);bis(4-tert-butylpyridine);2-tert-butylpyrimidine;4-tert-butylpyrimidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one;bis(2-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine);2-tert-butyl-1,3,5-triazine;3-tert-butyl-1,2,4-triazine.

Molecular Properties

Compound Nametert-butylcycloheptane;tetrakis(tert-butylcyclohexane);bis(tert-butylcyclopentane);2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;2-tert-butyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine;2-tert-butyl-6-methylidene-5,7-dihydropyrrolo[2,3-d]pyrimidine;2-tert-butyl-1-methylidene-1,2-thiazolidine 1-oxide;4-tert-butylmorpholine;4-tert-butyloxane;2-tert-butyloxolane;1-tert-butylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpiperidin-2-one;2-tert-butyl-7H-purine;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;bis(3-tert-butylpyridine);bis(4-tert-butylpyridine);2-tert-butylpyrimidine;4-tert-butylpyrimidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one;bis(2-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine);2-tert-butyl-1,3,5-triazine;3-tert-butyl-1,2,4-triazine
PubChem CID158849708
Molecular FormulaC321H564N48O6S
Molecular Weight5224.44 g/mol
Exact Mass5220.50
IUPAC Nametert-butylcycloheptane;tetrakis(tert-butylcyclohexane);bis(tert-butylcyclopentane);2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;2-tert-butyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine;2-tert-butyl-6-methylidene-5,7-dihydropyrrolo[2,3-d]pyrimidine;2-tert-butyl-1-methylidene-1,2-thiazolidine 1-oxide;4-tert-butylmorpholine;4-tert-butyloxane;2-tert-butyloxolane;1-tert-butylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpiperidin-2-one;2-tert-butyl-7H-purine;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;bis(3-tert-butylpyridine);bis(4-tert-butylpyridine);2-tert-butylpyrimidine;4-tert-butylpyrimidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one;bis(2-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine);2-tert-butyl-1,3,5-triazine;3-tert-butyl-1,2,4-triazine
SMILESC=C1Cc2cnc(C(C)(C)C)nc2N1.C=S1(=O)CCCN1C(C)(C)C.CC(C)(C)C1CCCC1.CC(C)(C)C1CCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCCCC1.CC(C)(C)C1CCCN1.CC(C)(C)C1CCCO1.CC(C)(C)C1CCNC1.CC(C)(C)C1CCOCC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCC1=O.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1=O.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCOCC1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnn1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncn1.CC(C)(C)c1cnccn1.CC(C)(C)c1ncc2[nH]cnc2n1.CC(C)(C)c1ncc2c(n1)CCC2.CC(C)(C)c1ncc2c(n1)NCC2.CC(C)(C)c1ncc2cc[nH]c2n1.CC(C)(C)c1ncc2cc[nH]c2n1.CC(C)(C)c1ncccn1.CC(C)(C)c1nccnn1.CC(C)(C)c1ncncn1
InChIInChI=1S/C11H15N3.C11H16N2.C11H22.C10H15N3.2C10H13N3.4C10H20.C9H12N4.C9H17NO.4C9H13N.2C9H19N.C9H13N.C9H18O.2C9H18.C8H18N2.4C8H12N2.C8H17NOS.C8H17NO.C8H15NO.3C8H17N.C8H16O.2C7H11N3/c1-7-5-8-6-12-10(11(2,3)4)14-9(8)13-7;1-11(2,3)10-12-7-8-5-4-6-9(8)13-10;1-11(2,3)10-8-6-4-5-7-9-10;3*1-10(2,3)9-12-6-7-4-5-11-8(7)13-9;4*1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-10-4-6-7(13-8)12-5-11-6;1-9(2,3)10-7-5-4-6-8(10)11;2*1-9(2,3)8-4-6-10-7-5-8;2*1-9(2,3)8-5-4-6-10-7-8;2*1-9(2,3)10-7-5-4-6-8-10;1-9(2,3)8-6-4-5-7-10-8;1-9(2,3)8-4-6-10-7-5-8;2*1-9(2,3)8-6-4-5-7-8;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-5-4-6-9-10-7;1-8(2,3)9-6-5-7-11(9,4)10;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7(9)10;1-8(2,3)7-4-5-9-6-7;1-8(2,3)9-6-4-5-7-9;2*1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-9-4-8-5-10-6;1-7(2,3)6-8-4-5-9-10-6/h6H,1,5H2,2-4H3,(H,12,13,14);7H,4-6H2,1-3H3;10H,4-9H2,1-3H3;6H,4-5H2,1-3H3,(H,11,12,13);2*4-6H,1-3H3,(H,11,12,13);4*9H,4-8H2,1-3H3;4-5H,1-3H3,(H,10,11,12,13);4-7H2,1-3H3;4*4-7H,1-3H3;2*4-8H2,1-3H3;4-7H,1-3H3;8H,4-7H2,1-3H3;2*8H,4-7H2,1-3H3;9H,4-7H2,1-3H3;4*4-6H,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3;4-6H2,1-3H3;7,9H,4-6H2,1-3H3;4-7H2,1-3H3;7,9H,4-6H2,1-3H3;7H,4-6H2,1-3H3;2*4-5H,1-3H3
InChIKeyIZHFJDZOYYAJIR-UHFFFAOYSA-N
XLogP79.30
TPSA624.82 Ų
H-Bond Donors8
H-Bond Acceptors48
Rotatable Bonds
Heavy Atoms376
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005224.44
LogP ≤ 579.30
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1048

Analyze tert-butylcycloheptane;tetrakis(tert-butylcyclohexane);bis(tert-butylcyclopentane);2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;2-tert-butyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine;2-tert-butyl-6-methylidene-5,7-dihydropyrrolo[2,3-d]pyrimidine;2-tert-butyl-1-methylidene-1,2-thiazolidine 1-oxide;4-tert-butylmorpholine;4-tert-butyloxane;2-tert-butyloxolane;1-tert-butylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpiperidin-2-one;2-tert-butyl-7H-purine;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;bis(3-tert-butylpyridine);bis(4-tert-butylpyridine);2-tert-butylpyrimidine;4-tert-butylpyrimidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one;bis(2-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine);2-tert-butyl-1,3,5-triazine;3-tert-butyl-1,2,4-triazine with MolForge

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Related Compounds

4-[5-[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrazol-4-yl]-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;2-[4-[7-(4-hydroxycyclohexyl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyrazol-1-yl]-2-methyl-1-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)propan-1-one;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-(1H-pyrrol-3-ylmethyl)pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol
CID 157575877
tert-butylbenzene;tert-butylcycloheptane;tert-butylcyclohexane;tert-butylcyclopentane;2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;4-tert-butylmorpholine;4-tert-butylmorpholin-3-one;3-tert-butyloxane;4-tert-butyloxane;3-tert-butyl-1,3-oxazolidin-2-one;2-tert-butyloxolane;3-tert-butyloxolane;1-tert-butylpiperazine;1-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine;2-tert-butyl-1,2-thiazolidine 1,1-dioxide;4-tert-butylthiomorpholine;2-tert-butyl-1,3,5-triazine;3-tert-butyl-1,2,4-triazine
CID 157723017
N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide;N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide;N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide
CID 157759252
3-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea;N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide;N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide;N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide;N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide
CID 158232873
3-methyl-N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;2-methyl-N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide;N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide
CID 158250139
N-[5-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide;N-[5-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide;N-[5-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide
CID 158257036
4-methyl-N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]piperazine-1-carboxamide;1-methyl-N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]piperidine-4-carboxamide;N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide;N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide
CID 158376613
3-methyl-N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;1-methyl-N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]piperidine-4-carboxamide;N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide;N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide
CID 158581240
1-methyl-N-[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]piperidine-4-carboxamide;N-[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide;N-[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide
CID 158830874
N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide;N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide;N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide
CID 158925440
3-[5-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea;N-[5-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide;N-[5-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide;N-[5-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide;N-[5-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide
CID 158973917
1-methyl-N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]piperidine-4-carboxamide;N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide;N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide
CID 158974355

Frequently Asked Questions

What is the IUPAC name of tert-butylcycloheptane;tetrakis(tert-butylcyclohexane);bis(tert-butylcyclopentane);2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;2-tert-butyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine;2-tert-butyl-6-methylidene-5,7-dihydropyrrolo[2,3-d]pyrimidine;2-tert-butyl-1-methylidene-1,2-thiazolidine 1-oxide;4-tert-butylmorpholine;4-tert-butyloxane;2-tert-butyloxolane;1-tert-butylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpiperidin-2-one;2-tert-butyl-7H-purine;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;bis(3-tert-butylpyridine);bis(4-tert-butylpyridine);2-tert-butylpyrimidine;4-tert-butylpyrimidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one;bis(2-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine);2-tert-butyl-1,3,5-triazine;3-tert-butyl-1,2,4-triazine?
The IUPAC name of tert-butylcycloheptane;tetrakis(tert-butylcyclohexane);bis(tert-butylcyclopentane);2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;2-tert-butyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine;2-tert-butyl-6-methylidene-5,7-dihydropyrrolo[2,3-d]pyrimidine;2-tert-butyl-1-methylidene-1,2-thiazolidine 1-oxide;4-tert-butylmorpholine;4-tert-butyloxane;2-tert-butyloxolane;1-tert-butylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpiperidin-2-one;2-tert-butyl-7H-purine;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;bis(3-tert-butylpyridine);bis(4-tert-butylpyridine);2-tert-butylpyrimidine;4-tert-butylpyrimidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one;bis(2-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine);2-tert-butyl-1,3,5-triazine;3-tert-butyl-1,2,4-triazine (CID 158849708) is tert-butylcycloheptane;tetrakis(tert-butylcyclohexane);bis(tert-butylcyclopentane);2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;2-tert-butyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine;2-tert-butyl-6-methylidene-5,7-dihydropyrrolo[2,3-d]pyrimidine;2-tert-butyl-1-methylidene-1,2-thiazolidine 1-oxide;4-tert-butylmorpholine;4-tert-butyloxane;2-tert-butyloxolane;1-tert-butylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpiperidin-2-one;2-tert-butyl-7H-purine;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;bis(3-tert-butylpyridine);bis(4-tert-butylpyridine);2-tert-butylpyrimidine;4-tert-butylpyrimidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one;bis(2-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine);2-tert-butyl-1,3,5-triazine;3-tert-butyl-1,2,4-triazine.
What is the SMILES notation for tert-butylcycloheptane;tetrakis(tert-butylcyclohexane);bis(tert-butylcyclopentane);2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;2-tert-butyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine;2-tert-butyl-6-methylidene-5,7-dihydropyrrolo[2,3-d]pyrimidine;2-tert-butyl-1-methylidene-1,2-thiazolidine 1-oxide;4-tert-butylmorpholine;4-tert-butyloxane;2-tert-butyloxolane;1-tert-butylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpiperidin-2-one;2-tert-butyl-7H-purine;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;bis(3-tert-butylpyridine);bis(4-tert-butylpyridine);2-tert-butylpyrimidine;4-tert-butylpyrimidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one;bis(2-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine);2-tert-butyl-1,3,5-triazine;3-tert-butyl-1,2,4-triazine?
The canonical SMILES for tert-butylcycloheptane;tetrakis(tert-butylcyclohexane);bis(tert-butylcyclopentane);2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;2-tert-butyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine;2-tert-butyl-6-methylidene-5,7-dihydropyrrolo[2,3-d]pyrimidine;2-tert-butyl-1-methylidene-1,2-thiazolidine 1-oxide;4-tert-butylmorpholine;4-tert-butyloxane;2-tert-butyloxolane;1-tert-butylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpiperidin-2-one;2-tert-butyl-7H-purine;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;bis(3-tert-butylpyridine);bis(4-tert-butylpyridine);2-tert-butylpyrimidine;4-tert-butylpyrimidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one;bis(2-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine);2-tert-butyl-1,3,5-triazine;3-tert-butyl-1,2,4-triazine is C=C1Cc2cnc(C(C)(C)C)nc2N1.C=S1(=O)CCCN1C(C)(C)C.CC(C)(C)C1CCCC1.CC(C)(C)C1CCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCCCC1.CC(C)(C)C1CCCN1.CC(C)(C)C1CCCO1.CC(C)(C)C1CCNC1.CC(C)(C)C1CCOCC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCC1=O.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1=O.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCOCC1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnn1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncn1.CC(C)(C)c1cnccn1.CC(C)(C)c1ncc2[nH]cnc2n1.CC(C)(C)c1ncc2c(n1)CCC2.CC(C)(C)c1ncc2c(n1)NCC2.CC(C)(C)c1ncc2cc[nH]c2n1.CC(C)(C)c1ncc2cc[nH]c2n1.CC(C)(C)c1ncccn1.CC(C)(C)c1nccnn1.CC(C)(C)c1ncncn1.
What is the InChIKey of tert-butylcycloheptane;tetrakis(tert-butylcyclohexane);bis(tert-butylcyclopentane);2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;2-tert-butyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine;2-tert-butyl-6-methylidene-5,7-dihydropyrrolo[2,3-d]pyrimidine;2-tert-butyl-1-methylidene-1,2-thiazolidine 1-oxide;4-tert-butylmorpholine;4-tert-butyloxane;2-tert-butyloxolane;1-tert-butylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpiperidin-2-one;2-tert-butyl-7H-purine;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;bis(3-tert-butylpyridine);bis(4-tert-butylpyridine);2-tert-butylpyrimidine;4-tert-butylpyrimidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one;bis(2-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine);2-tert-butyl-1,3,5-triazine;3-tert-butyl-1,2,4-triazine?
The InChIKey is IZHFJDZOYYAJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3.C11H16N2.C11H22.C10H15N3.2C10H13N3.4C10H20.C9H12N4.C9H17NO.4C9H13N.2C9H19N.C9H13N.C9H18O.2C9H18.C8H18N2.4C8H12N2.C8H17NOS.C8H17NO.C8H15NO.3C8H17N.C8H16O.2C7H11N3/c1-7-5-8-6-12-10(11(2,3)4)14-9(8)13-7;1-11(2,3)10-12-7-8-5-4-6-9(8)13-10;1-11(2,3)10-8-6-4-5-7-9-10;3*1-10(2,3)9-12-6-7-4-5-11-8(7)13-9;4*1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-10-4-6-7(13-8)12-5-11-6;1-9(2,3)10-7-5-4-6-8(10)11;2*1-9(2,3)8-4-6-10-7-5-8;2*1-9(2,3)8-5-4-6-10-7-8;2*1-9(2,3)10-7-5-4-6-8-10;1-9(2,3)8-6-4-5-7-10-8;1-9(2,3)8-4-6-10-7-5-8;2*1-9(2,3)8-6-4-5-7-8;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-5-4-6-9-10-7;1-8(2,3)9-6-5-7-11(9,4)10;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7(9)10;1-8(2,3)7-4-5-9-6-7;1-8(2,3)9-6-4-5-7-9;2*1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-9-4-8-5-10-6;1-7(2,3)6-8-4-5-9-10-6/h6H,1,5H2,2-4H3,(H,12,13,14);7H,4-6H2,1-3H3;10H,4-9H2,1-3H3;6H,4-5H2,1-3H3,(H,11,12,13);2*4-6H,1-3H3,(H,11,12,13);4*9H,4-8H2,1-3H3;4-5H,1-3H3,(H,10,11,12,13);4-7H2,1-3H3;4*4-7H,1-3H3;2*4-8H2,1-3H3;4-7H,1-3H3;8H,4-7H2,1-3H3;2*8H,4-7H2,1-3H3;9H,4-7H2,1-3H3;4*4-6H,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3;4-6H2,1-3H3;7,9H,4-6H2,1-3H3;4-7H2,1-3H3;7,9H,4-6H2,1-3H3;7H,4-6H2,1-3H3;2*4-5H,1-3H3.
What are the key properties of tert-butylcycloheptane;tetrakis(tert-butylcyclohexane);bis(tert-butylcyclopentane);2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;2-tert-butyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine;2-tert-butyl-6-methylidene-5,7-dihydropyrrolo[2,3-d]pyrimidine;2-tert-butyl-1-methylidene-1,2-thiazolidine 1-oxide;4-tert-butylmorpholine;4-tert-butyloxane;2-tert-butyloxolane;1-tert-butylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpiperidin-2-one;2-tert-butyl-7H-purine;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;bis(3-tert-butylpyridine);bis(4-tert-butylpyridine);2-tert-butylpyrimidine;4-tert-butylpyrimidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one;bis(2-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine);2-tert-butyl-1,3,5-triazine;3-tert-butyl-1,2,4-triazine?
tert-butylcycloheptane;tetrakis(tert-butylcyclohexane);bis(tert-butylcyclopentane);2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;2-tert-butyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine;2-tert-butyl-6-methylidene-5,7-dihydropyrrolo[2,3-d]pyrimidine;2-tert-butyl-1-methylidene-1,2-thiazolidine 1-oxide;4-tert-butylmorpholine;4-tert-butyloxane;2-tert-butyloxolane;1-tert-butylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpiperidin-2-one;2-tert-butyl-7H-purine;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;bis(3-tert-butylpyridine);bis(4-tert-butylpyridine);2-tert-butylpyrimidine;4-tert-butylpyrimidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one;bis(2-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine);2-tert-butyl-1,3,5-triazine;3-tert-butyl-1,2,4-triazine has a molecular weight of 5224.44 g/mol, XLogP of 79.30, 0 rotatable bonds, 8 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylcycloheptane;tetrakis(tert-butylcyclohexane);bis(tert-butylcyclopentane);2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;2-tert-butyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine;2-tert-butyl-6-methylidene-5,7-dihydropyrrolo[2,3-d]pyrimidine;2-tert-butyl-1-methylidene-1,2-thiazolidine 1-oxide;4-tert-butylmorpholine;4-tert-butyloxane;2-tert-butyloxolane;1-tert-butylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpiperidin-2-one;2-tert-butyl-7H-purine;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;bis(3-tert-butylpyridine);bis(4-tert-butylpyridine);2-tert-butylpyrimidine;4-tert-butylpyrimidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one;bis(2-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine);2-tert-butyl-1,3,5-triazine;3-tert-butyl-1,2,4-triazine is sourced from PubChem (CID 158849708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).