tetrakis(2,2-dimethylpropane);ethane;imidazo[1,2-a]pyridine;indolizine;1-methyl-3-propan-2-ylindazole;2-methyl-3-propan-2-ylindazole;2-methyl-1-propan-2-ylisoindole;2-propan-2-yl-3a,7a-dihydro-3H-isoindol-1-one;3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1,2-benzoxazole;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrimidine

C134H213N15O2S — CID 161105123

IUPACtetrakis(2,2-dimethylpropane);ethane;imidazo[1,2-a]pyridine;indolizine;1-methyl-3-propan-2-ylindazole;2-methyl-3-propan-2-ylindazole;2-methyl-1-propan-2-ylisoindole;2-propan-2-yl-3a,7a-dihydro-3H-isoindol-1-one;3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1,2-benzoxazole;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrimidine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)N1CC2C=CC=CC2C1=O.CC(C)c1c2ccccc2cn1C.CC(C)c1c2ccccc2nn1C.CC(C)c1nn(C)c2ccccc12.CC(C)c1noc2ccccc12.CC(C)c1nsc2ccccc12.c1ccn2cccc2c1.c1ccn2ccnc2c1.c1ccn2nccc2c1.c1cnc2cccn2c1
InChIInChI=1S/C12H15N.2C11H14N2.C11H15NO.C10H11NO.C10H11NS.C8H7N.3C7H6N2.4C5H12.10C2H6/c1-9(2)12-11-7-5-4-6-10(11)8-13(12)3;1-8(2)11-9-6-4-5-7-10(9)13(3)12-11;1-8(2)11-9-6-4-5-7-10(9)12-13(11)3;1-8(2)12-7-9-5-3-4-6-10(9)11(12)13;2*1-7(2)10-8-5-3-4-6-9(8)12-11-10;1-2-6-9-7-3-5-8(9)4-1;1-3-7-8-4-2-6-9(7)5-1;1-2-6-9-7(3-1)4-5-8-9;1-2-5-9-6-4-8-7(9)3-1;4*1-5(2,3)4;10*1-2/h4-9H,1-3H3;2*4-8H,1-3H3;3-6,8-10H,7H2,1-2H3;2*3-7H,1-2H3;1-7H;3*1-6H;4*1-4H3;10*1-2H3
InChIKeyUIYKNABISJWFCR-UHFFFAOYSA-N
MW2098.35 g/mol
LogP41.08
Rot. Bonds6

About tetrakis(2,2-dimethylpropane);ethane;imidazo[1,2-a]pyridine;indolizine;1-methyl-3-propan-2-ylindazole;2-methyl-3-propan-2-ylindazole;2-methyl-1-propan-2-ylisoindole;2-propan-2-yl-3a,7a-dihydro-3H-isoindol-1-one;3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1,2-benzoxazole;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrimidine

tetrakis(2,2-dimethylpropane);ethane;imidazo[1,2-a]pyridine;indolizine;1-methyl-3-propan-2-ylindazole;2-methyl-3-propan-2-ylindazole;2-methyl-1-propan-2-ylisoindole;2-propan-2-yl-3a,7a-dihydro-3H-isoindol-1-one;3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1,2-benzoxazole;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrimidine (PubChem CID 161105123) has the molecular formula C134H213N15O2S and a molecular weight of 2098.35 g/mol. Its IUPAC name is tetrakis(2,2-dimethylpropane);ethane;imidazo[1,2-a]pyridine;indolizine;1-methyl-3-propan-2-ylindazole;2-methyl-3-propan-2-ylindazole;2-methyl-1-propan-2-ylisoindole;2-propan-2-yl-3a,7a-dihydro-3H-isoindol-1-one;3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1,2-benzoxazole;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrimidine.

Molecular Properties

Compound Nametetrakis(2,2-dimethylpropane);ethane;imidazo[1,2-a]pyridine;indolizine;1-methyl-3-propan-2-ylindazole;2-methyl-3-propan-2-ylindazole;2-methyl-1-propan-2-ylisoindole;2-propan-2-yl-3a,7a-dihydro-3H-isoindol-1-one;3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1,2-benzoxazole;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrimidine
PubChem CID161105123
Molecular FormulaC134H213N15O2S
Molecular Weight2098.35 g/mol
Exact Mass2096.67
IUPAC Nametetrakis(2,2-dimethylpropane);ethane;imidazo[1,2-a]pyridine;indolizine;1-methyl-3-propan-2-ylindazole;2-methyl-3-propan-2-ylindazole;2-methyl-1-propan-2-ylisoindole;2-propan-2-yl-3a,7a-dihydro-3H-isoindol-1-one;3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1,2-benzoxazole;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrimidine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)N1CC2C=CC=CC2C1=O.CC(C)c1c2ccccc2cn1C.CC(C)c1c2ccccc2nn1C.CC(C)c1nn(C)c2ccccc12.CC(C)c1noc2ccccc12.CC(C)c1nsc2ccccc12.c1ccn2cccc2c1.c1ccn2ccnc2c1.c1ccn2nccc2c1.c1cnc2cccn2c1
InChIInChI=1S/C12H15N.2C11H14N2.C11H15NO.C10H11NO.C10H11NS.C8H7N.3C7H6N2.4C5H12.10C2H6/c1-9(2)12-11-7-5-4-6-10(11)8-13(12)3;1-8(2)11-9-6-4-5-7-10(9)13(3)12-11;1-8(2)11-9-6-4-5-7-10(9)12-13(11)3;1-8(2)12-7-9-5-3-4-6-10(9)11(12)13;2*1-7(2)10-8-5-3-4-6-9(8)12-11-10;1-2-6-9-7-3-5-8(9)4-1;1-3-7-8-4-2-6-9(7)5-1;1-2-6-9-7(3-1)4-5-8-9;1-2-5-9-6-4-8-7(9)3-1;4*1-5(2,3)4;10*1-2/h4-9H,1-3H3;2*4-8H,1-3H3;3-6,8-10H,7H2,1-2H3;2*3-7H,1-2H3;1-7H;3*1-6H;4*1-4H3;10*1-2H3
InChIKeyUIYKNABISJWFCR-UHFFFAOYSA-N
XLogP41.08
TPSA156.11 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds6
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002098.35
LogP ≤ 541.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze tetrakis(2,2-dimethylpropane);ethane;imidazo[1,2-a]pyridine;indolizine;1-methyl-3-propan-2-ylindazole;2-methyl-3-propan-2-ylindazole;2-methyl-1-propan-2-ylisoindole;2-propan-2-yl-3a,7a-dihydro-3H-isoindol-1-one;3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1,2-benzoxazole;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrimidine with MolForge

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Related Compounds

5-cyclohexyl-1-methyl-3-phenyl-2H-benzimidazol-2-ide;4,5-dimethyl-2-[9-methyl-9-(trifluoromethyl)-2H-fluoren-2-id-1-yl]pyridine;1-(4,5-dimethyl-2-pyridinyl)-9-phenyl-2H-carbazol-2-ide;1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-6-id-1-yl]isoquinoline;3-[3,5-di(propan-2-yl)benzene-6-id-1-yl]-1,2-benzoxazole;tris(iridium);iridium(3+);3-(3H-isoquinolin-3-id-4-yl)-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole;3-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-1,2-benzoxazole
CID 160779406
N,N-dimethyl-3-[[6-methyl-7-(2-pyrazolo[1,5-c]pyrimidin-3-ylethynyl)-1,2-benzoxazol-3-yl]methyl]aniline;7-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-6-methyl-3-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]methyl]-1,2-benzoxazole;7-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-6-methyl-3-[[3-methyl-5-(piperidin-1-ylmethyl)phenyl]methyl]-1,2-benzoxazole
CID 161886723
5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydro-1H-isoindol-1-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazol-3-amine;6-methyl-1H-indazol-3-amine;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;5-methyl-1H-pyrazolo[5,4-b]pyridine;6-methyl-1H-pyrazolo[4,5-b]pyridine;5-methyl-1H-pyrrolo[2,3-b]pyridine;6-methyl-1H-pyrrolo[3,2-b]pyridine;6-methyl-1H-pyrrolo[3,2-c]pyridine
CID 157061307
6-methyl-1,2-benzothiazol-3-amine;5-methyl-2H-benzotriazole;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;6-methyl-3H-imidazo[4,5-c]pyridine;6-methyl-1H-indazol-3-amine;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;5-methyl-1H-pyrazolo[5,4-b]pyridine;6-methyl-1H-pyrazolo[4,5-b]pyridine;5-methyl-1H-pyrazolo[5,4-c]pyridine;6-methyl-1H-pyrazolo[4,5-c]pyridine;5-methyl-1H-pyrrolo[2,3-b]pyridine;6-methyl-1H-pyrrolo[3,2-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine;6-methyl-1H-pyrrolo[3,2-c]pyridine
CID 157106826
3-tert-butyl-1-benzothiophene;3-tert-butyl-1,2-benzoxazole;3-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-2H-indazole;3-tert-butyl-1H-indole;4-tert-butyl-1H-indole;4-tert-butylisoquinoline;3-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[3,2-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-c]pyridine;3-tert-butyl-1H-pyrrolo[3,2-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
CID 157117987
4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-2H-benzotriazole;7-propan-2-yl-1,2-benzoxazol-3-amine;4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;4-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;1-(4-propan-2-yl-2,3-dihydroindol-1-yl)ethanone;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine
CID 157181237
3a,4,5,6,7,7a-hexahydrothieno[3,2-c]pyridine;benzene;1,2-benzoxazole;2-benzylpyrimidine;7H-cyclopenta[b]pyridine;cyclopenta-1,3-diene;bis(imidazo[1,2-a]pyrazine);bis(imidazo[1,2-a]pyridine);imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;1H-isoindole;isoquinoline;pyrazine;pyridazine;pyridine;pyrimidine;2H-pyrrole;quinazoline;3H-quinazolin-4-one;quinoline;quinoxaline
CID 157236367
1,2-benzothiazole;1,2-benzoxazole;bis(5H-cyclopenta[b]pyridine);7H-cyclopenta[b]pyridine;ethane;tris(1H-indene);indene-1,3-dione;tris(3H-indole);1H-isoindole;3-methylidene-2-propan-2-ylisoindol-1-one;hexadecakis(2-methylpropane);propane;1-propan-2-ylbenzimidazole;bis(1-propan-2-ylindole);1-propan-2-ylpyrrolo[2,3-b]pyridine;1-propan-2-ylpyrrolo[3,2-b]pyridine;7H-pyrrolo[2,3-b]pyrazine;3H-pyrrolo[3,2-b]pyridine;quinoline
CID 157244518
3a,4,5,6,7,7a-hexahydrothieno[3,2-c]pyridine;benzene;1,2-benzoxazole;2-benzylpyrimidine;7H-cyclopenta[b]pyridine;bis(cyclopenta-1,3-diene);tetrakis(imidazo[1,2-a]pyridine);imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;1H-isoindole;naphthalene;pyrazine;bis(pyridine);pyrimidine;quinazoline;3H-quinazolin-4-one;quinoline;quinoxaline
CID 157254504
3a,4,5,6,7,7a-hexahydro-1-benzothiophene;benzene;1,2-benzoxazole;2-benzylpyrimidine;7H-cyclopenta[b]pyridine;cyclopenta-1,3-diene;imidazo[1,2-a]pyrazine;tris(imidazo[1,2-a]pyridine);imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;1H-isoindole;naphthalene;pyrazine;pyridazine;bis(pyridine);2H-pyrrole;quinazoline;quinoline;3H-quinolin-4-one;quinoxaline
CID 157319589
6-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;3-methyl-5H-cyclopenta[b]pyridine;3-methyl-5H-cyclopenta[c]pyridine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;6-methyl-1H-indazol-3-amine;5-methyl-1H-indazole;5-methyl-3H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;6-methyl-1H-isoindole;5-methyl-1H-pyrazolo[5,4-b]pyridine;5-methyl-1H-pyrazolo[5,4-c]pyridine;3-methyl-5H-pyrrolo[3,4-b]pyridine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-1H-pyrrolo[3,2-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine;5-methyl-3H-pyrrolo[2,3-c]pyridine;6-methyl-1H-pyrrolo[3,4-c]pyridine
CID 157402732
benzene;1,2-benzoxazole;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;1H-indazole;indolizine;isoquinoline;1,7-naphthyridine;phthalazine;pyrazolo[1,5-a]pyridine;pyridine;quinazoline;quinoline
CID 157566423

Frequently Asked Questions

What is the IUPAC name of tetrakis(2,2-dimethylpropane);ethane;imidazo[1,2-a]pyridine;indolizine;1-methyl-3-propan-2-ylindazole;2-methyl-3-propan-2-ylindazole;2-methyl-1-propan-2-ylisoindole;2-propan-2-yl-3a,7a-dihydro-3H-isoindol-1-one;3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1,2-benzoxazole;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrimidine?
The IUPAC name of tetrakis(2,2-dimethylpropane);ethane;imidazo[1,2-a]pyridine;indolizine;1-methyl-3-propan-2-ylindazole;2-methyl-3-propan-2-ylindazole;2-methyl-1-propan-2-ylisoindole;2-propan-2-yl-3a,7a-dihydro-3H-isoindol-1-one;3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1,2-benzoxazole;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrimidine (CID 161105123) is tetrakis(2,2-dimethylpropane);ethane;imidazo[1,2-a]pyridine;indolizine;1-methyl-3-propan-2-ylindazole;2-methyl-3-propan-2-ylindazole;2-methyl-1-propan-2-ylisoindole;2-propan-2-yl-3a,7a-dihydro-3H-isoindol-1-one;3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1,2-benzoxazole;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrimidine.
What is the SMILES notation for tetrakis(2,2-dimethylpropane);ethane;imidazo[1,2-a]pyridine;indolizine;1-methyl-3-propan-2-ylindazole;2-methyl-3-propan-2-ylindazole;2-methyl-1-propan-2-ylisoindole;2-propan-2-yl-3a,7a-dihydro-3H-isoindol-1-one;3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1,2-benzoxazole;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrimidine?
The canonical SMILES for tetrakis(2,2-dimethylpropane);ethane;imidazo[1,2-a]pyridine;indolizine;1-methyl-3-propan-2-ylindazole;2-methyl-3-propan-2-ylindazole;2-methyl-1-propan-2-ylisoindole;2-propan-2-yl-3a,7a-dihydro-3H-isoindol-1-one;3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1,2-benzoxazole;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrimidine is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)N1CC2C=CC=CC2C1=O.CC(C)c1c2ccccc2cn1C.CC(C)c1c2ccccc2nn1C.CC(C)c1nn(C)c2ccccc12.CC(C)c1noc2ccccc12.CC(C)c1nsc2ccccc12.c1ccn2cccc2c1.c1ccn2ccnc2c1.c1ccn2nccc2c1.c1cnc2cccn2c1.
What is the InChIKey of tetrakis(2,2-dimethylpropane);ethane;imidazo[1,2-a]pyridine;indolizine;1-methyl-3-propan-2-ylindazole;2-methyl-3-propan-2-ylindazole;2-methyl-1-propan-2-ylisoindole;2-propan-2-yl-3a,7a-dihydro-3H-isoindol-1-one;3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1,2-benzoxazole;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrimidine?
The InChIKey is UIYKNABISJWFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N.2C11H14N2.C11H15NO.C10H11NO.C10H11NS.C8H7N.3C7H6N2.4C5H12.10C2H6/c1-9(2)12-11-7-5-4-6-10(11)8-13(12)3;1-8(2)11-9-6-4-5-7-10(9)13(3)12-11;1-8(2)11-9-6-4-5-7-10(9)12-13(11)3;1-8(2)12-7-9-5-3-4-6-10(9)11(12)13;2*1-7(2)10-8-5-3-4-6-9(8)12-11-10;1-2-6-9-7-3-5-8(9)4-1;1-3-7-8-4-2-6-9(7)5-1;1-2-6-9-7(3-1)4-5-8-9;1-2-5-9-6-4-8-7(9)3-1;4*1-5(2,3)4;10*1-2/h4-9H,1-3H3;2*4-8H,1-3H3;3-6,8-10H,7H2,1-2H3;2*3-7H,1-2H3;1-7H;3*1-6H;4*1-4H3;10*1-2H3.
What are the key properties of tetrakis(2,2-dimethylpropane);ethane;imidazo[1,2-a]pyridine;indolizine;1-methyl-3-propan-2-ylindazole;2-methyl-3-propan-2-ylindazole;2-methyl-1-propan-2-ylisoindole;2-propan-2-yl-3a,7a-dihydro-3H-isoindol-1-one;3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1,2-benzoxazole;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrimidine?
tetrakis(2,2-dimethylpropane);ethane;imidazo[1,2-a]pyridine;indolizine;1-methyl-3-propan-2-ylindazole;2-methyl-3-propan-2-ylindazole;2-methyl-1-propan-2-ylisoindole;2-propan-2-yl-3a,7a-dihydro-3H-isoindol-1-one;3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1,2-benzoxazole;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrimidine has a molecular weight of 2098.35 g/mol, XLogP of 41.08, 6 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2,2-dimethylpropane);ethane;imidazo[1,2-a]pyridine;indolizine;1-methyl-3-propan-2-ylindazole;2-methyl-3-propan-2-ylindazole;2-methyl-1-propan-2-ylisoindole;2-propan-2-yl-3a,7a-dihydro-3H-isoindol-1-one;3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1,2-benzoxazole;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrimidine is sourced from PubChem (CID 161105123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).