5-tert-butyl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;2-tert-butyl-5,8-dimethyl-7H-pteridin-6-one;6-tert-butylimidazo[1,2-a]pyridine;1-tert-butylindazole;5,8-dimethyl-6,7-dihydropteridine;decakis(2,2-dimethylpropane);ethane;imidazo[1,5-a]pyridine;6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;1-methyl-3,4-dihydro-2H-quinoline;2-methylpropane;9-methylpurine;1-methylpyrazolo[4,5-b]pyridine;1-methylpyrazolo[4,5-c]pyridine;1-methylpyrazolo[5,4-c]pyridine;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;1-methylpyrrolo[3,2-c]pyridine;5-methylpyrrolo[3,2-d]pyrimidine;quinoline;thieno[2,3-d]pyrimidine

C219H343N45O2S — CID 158016918

IUPAC5-tert-butyl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;2-tert-butyl-5,8-dimethyl-7H-pteridin-6-one;6-tert-butylimidazo[1,2-a]pyridine;1-tert-butylindazole;5,8-dimethyl-6,7-dihydropteridine;decakis(2,2-dimethylpropane);ethane;imidazo[1,5-a]pyridine;6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;1-methyl-3,4-dihydro-2H-quinoline;2-methylpropane;9-methylpurine;1-methylpyrazolo[4,5-b]pyridine;1-methylpyrazolo[4,5-c]pyridine;1-methylpyrazolo[5,4-c]pyridine;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;1-methylpyrrolo[3,2-c]pyridine;5-methylpyrrolo[3,2-d]pyrimidine;quinoline;thieno[2,3-d]pyrimidine
SMILESCC.CC.CC.CC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1ccc2nccn2c1.CC(C)(C)c1cnc2c(c1)CC(=O)N2.CC(C)(C)n1ncc2ccccc21.CC(C)C.CN1CC(=O)N(C)c2cnc(C(C)(C)C)nc21.CN1CCCc2ccccc21.CN1CCN(C)c2ncncc21.CN1CCc2ncncc2C1.Cn1ccc2cccnc21.Cn1ccc2ccncc21.Cn1ccc2cnccc21.Cn1ccc2ncncc21.Cn1cnc2cncnc21.Cn1ncc2ccncc21.Cn1ncc2cnccc21.Cn1ncc2ncccc21.c1ccc2ncccc2c1.c1ccn2cncc2c1.c1ncc2ccsc2n1
InChIInChI=1S/C12H18N4O.C11H14N2O.2C11H14N2.C10H13N.C9H7N.C8H12N4.C8H11N3.3C8H8N2.4C7H7N3.C7H6N2.C6H6N4.C6H4N2S.10C5H12.C4H10.7C2H6/c1-12(2,3)11-13-6-8-10(14-11)15(4)7-9(17)16(8)5;1-11(2,3)8-4-7-5-9(14)13-10(7)12-6-8;1-11(2,3)9-4-5-10-12-6-7-13(10)8-9;1-11(2,3)13-10-7-5-4-6-9(10)8-12-13;1-11-8-4-6-9-5-2-3-7-10(9)11;1-2-6-9-8(4-1)5-3-7-10-9;1-11-3-4-12(2)8-7(11)5-9-6-10-8;1-11-3-2-8-7(5-11)4-9-6-10-8;1-10-5-3-7-6-9-4-2-8(7)10;1-10-5-3-7-2-4-9-6-8(7)10;1-10-6-4-7-3-2-5-9-8(7)10;1-10-7-2-3-8-4-6(7)5-9-10;1-10-3-2-6-7(10)4-8-5-9-6;1-10-7-5-8-3-2-6(7)4-9-10;1-10-7-3-2-4-8-6(7)5-9-10;1-2-4-9-6-8-5-7(9)3-1;1-10-4-9-5-2-7-3-8-6(5)10;1-2-9-6-5(1)3-7-4-8-6;10*1-5(2,3)4;1-4(2)3;7*1-2/h6H,7H2,1-5H3;4,6H,5H2,1-3H3,(H,12,13,14);2*4-8H,1-3H3;2-3,5,7H,4,6,8H2,1H3;1-7H;5-6H,3-4H2,1-2H3;4,6H,2-3,5H2,1H3;3*2-6H,1H3;4*2-5H,1H3;1-6H;2-4H,1H3;1-4H;10*1-4H3;4H,1-3H3;7*1-2H3
InChIKeyFFOVYDFDBZCKMK-UHFFFAOYSA-N
MW3670.53 g/mol
LogP54.97
Rot. Bonds

About 5-tert-butyl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;2-tert-butyl-5,8-dimethyl-7H-pteridin-6-one;6-tert-butylimidazo[1,2-a]pyridine;1-tert-butylindazole;5,8-dimethyl-6,7-dihydropteridine;decakis(2,2-dimethylpropane);ethane;imidazo[1,5-a]pyridine;6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;1-methyl-3,4-dihydro-2H-quinoline;2-methylpropane;9-methylpurine;1-methylpyrazolo[4,5-b]pyridine;1-methylpyrazolo[4,5-c]pyridine;1-methylpyrazolo[5,4-c]pyridine;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;1-methylpyrrolo[3,2-c]pyridine;5-methylpyrrolo[3,2-d]pyrimidine;quinoline;thieno[2,3-d]pyrimidine

5-tert-butyl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;2-tert-butyl-5,8-dimethyl-7H-pteridin-6-one;6-tert-butylimidazo[1,2-a]pyridine;1-tert-butylindazole;5,8-dimethyl-6,7-dihydropteridine;decakis(2,2-dimethylpropane);ethane;imidazo[1,5-a]pyridine;6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;1-methyl-3,4-dihydro-2H-quinoline;2-methylpropane;9-methylpurine;1-methylpyrazolo[4,5-b]pyridine;1-methylpyrazolo[4,5-c]pyridine;1-methylpyrazolo[5,4-c]pyridine;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;1-methylpyrrolo[3,2-c]pyridine;5-methylpyrrolo[3,2-d]pyrimidine;quinoline;thieno[2,3-d]pyrimidine (PubChem CID 158016918) has the molecular formula C219H343N45O2S and a molecular weight of 3670.53 g/mol. Its IUPAC name is 5-tert-butyl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;2-tert-butyl-5,8-dimethyl-7H-pteridin-6-one;6-tert-butylimidazo[1,2-a]pyridine;1-tert-butylindazole;5,8-dimethyl-6,7-dihydropteridine;decakis(2,2-dimethylpropane);ethane;imidazo[1,5-a]pyridine;6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;1-methyl-3,4-dihydro-2H-quinoline;2-methylpropane;9-methylpurine;1-methylpyrazolo[4,5-b]pyridine;1-methylpyrazolo[4,5-c]pyridine;1-methylpyrazolo[5,4-c]pyridine;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;1-methylpyrrolo[3,2-c]pyridine;5-methylpyrrolo[3,2-d]pyrimidine;quinoline;thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-tert-butyl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;2-tert-butyl-5,8-dimethyl-7H-pteridin-6-one;6-tert-butylimidazo[1,2-a]pyridine;1-tert-butylindazole;5,8-dimethyl-6,7-dihydropteridine;decakis(2,2-dimethylpropane);ethane;imidazo[1,5-a]pyridine;6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;1-methyl-3,4-dihydro-2H-quinoline;2-methylpropane;9-methylpurine;1-methylpyrazolo[4,5-b]pyridine;1-methylpyrazolo[4,5-c]pyridine;1-methylpyrazolo[5,4-c]pyridine;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;1-methylpyrrolo[3,2-c]pyridine;5-methylpyrrolo[3,2-d]pyrimidine;quinoline;thieno[2,3-d]pyrimidine
PubChem CID158016918
Molecular FormulaC219H343N45O2S
Molecular Weight3670.53 g/mol
Exact Mass3667.78
IUPAC Name5-tert-butyl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;2-tert-butyl-5,8-dimethyl-7H-pteridin-6-one;6-tert-butylimidazo[1,2-a]pyridine;1-tert-butylindazole;5,8-dimethyl-6,7-dihydropteridine;decakis(2,2-dimethylpropane);ethane;imidazo[1,5-a]pyridine;6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;1-methyl-3,4-dihydro-2H-quinoline;2-methylpropane;9-methylpurine;1-methylpyrazolo[4,5-b]pyridine;1-methylpyrazolo[4,5-c]pyridine;1-methylpyrazolo[5,4-c]pyridine;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;1-methylpyrrolo[3,2-c]pyridine;5-methylpyrrolo[3,2-d]pyrimidine;quinoline;thieno[2,3-d]pyrimidine
SMILESCC.CC.CC.CC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1ccc2nccn2c1.CC(C)(C)c1cnc2c(c1)CC(=O)N2.CC(C)(C)n1ncc2ccccc21.CC(C)C.CN1CC(=O)N(C)c2cnc(C(C)(C)C)nc21.CN1CCCc2ccccc21.CN1CCN(C)c2ncncc21.CN1CCc2ncncc2C1.Cn1ccc2cccnc21.Cn1ccc2ccncc21.Cn1ccc2cnccc21.Cn1ccc2ncncc21.Cn1cnc2cncnc21.Cn1ncc2ccncc21.Cn1ncc2cnccc21.Cn1ncc2ncccc21.c1ccc2ncccc2c1.c1ccn2cncc2c1.c1ncc2ccsc2n1
InChIInChI=1S/C12H18N4O.C11H14N2O.2C11H14N2.C10H13N.C9H7N.C8H12N4.C8H11N3.3C8H8N2.4C7H7N3.C7H6N2.C6H6N4.C6H4N2S.10C5H12.C4H10.7C2H6/c1-12(2,3)11-13-6-8-10(14-11)15(4)7-9(17)16(8)5;1-11(2,3)8-4-7-5-9(14)13-10(7)12-6-8;1-11(2,3)9-4-5-10-12-6-7-13(10)8-9;1-11(2,3)13-10-7-5-4-6-9(10)8-12-13;1-11-8-4-6-9-5-2-3-7-10(9)11;1-2-6-9-8(4-1)5-3-7-10-9;1-11-3-4-12(2)8-7(11)5-9-6-10-8;1-11-3-2-8-7(5-11)4-9-6-10-8;1-10-5-3-7-6-9-4-2-8(7)10;1-10-5-3-7-2-4-9-6-8(7)10;1-10-6-4-7-3-2-5-9-8(7)10;1-10-7-2-3-8-4-6(7)5-9-10;1-10-3-2-6-7(10)4-8-5-9-6;1-10-7-5-8-3-2-6(7)4-9-10;1-10-7-3-2-4-8-6(7)5-9-10;1-2-4-9-6-8-5-7(9)3-1;1-10-4-9-5-2-7-3-8-6(5)10;1-2-9-6-5(1)3-7-4-8-6;10*1-5(2,3)4;1-4(2)3;7*1-2/h6H,7H2,1-5H3;4,6H,5H2,1-3H3,(H,12,13,14);2*4-8H,1-3H3;2-3,5,7H,4,6,8H2,1H3;1-7H;5-6H,3-4H2,1-2H3;4,6H,2-3,5H2,1H3;3*2-6H,1H3;4*2-5H,1H3;1-6H;2-4H,1H3;1-4H;10*1-4H3;4H,1-3H3;7*1-2H3
InChIKeyFFOVYDFDBZCKMK-UHFFFAOYSA-N
XLogP54.97
TPSA466.83 Ų
H-Bond Donors1
H-Bond Acceptors46
Rotatable Bonds
Heavy Atoms267
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003670.53
LogP ≤ 554.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1046

Analyze 5-tert-butyl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;2-tert-butyl-5,8-dimethyl-7H-pteridin-6-one;6-tert-butylimidazo[1,2-a]pyridine;1-tert-butylindazole;5,8-dimethyl-6,7-dihydropteridine;decakis(2,2-dimethylpropane);ethane;imidazo[1,5-a]pyridine;6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;1-methyl-3,4-dihydro-2H-quinoline;2-methylpropane;9-methylpurine;1-methylpyrazolo[4,5-b]pyridine;1-methylpyrazolo[4,5-c]pyridine;1-methylpyrazolo[5,4-c]pyridine;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;1-methylpyrrolo[3,2-c]pyridine;5-methylpyrrolo[3,2-d]pyrimidine;quinoline;thieno[2,3-d]pyrimidine with MolForge

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Related Compounds

N-[5-[7-[4-[2-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-4-fluoro-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-4-fluoro-1-methyl-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)pyrazolo[5,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 145037804
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[6-[4-[2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperidin-1-yl]acetyl]piperazin-1-yl]-3-pyridinyl]-4-fluoroindazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156505508
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[6-[4-[2-[4-[5-[(2,6-dioxopiperidin-3-yl)amino]-2-pyridinyl]piperidin-1-yl]acetyl]piperazin-1-yl]-3-pyridinyl]-4-fluoroindazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156505509
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[6-[4-[2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]-3,3-difluoropiperidin-1-yl]acetyl]piperazin-1-yl]-3-pyridinyl]-4-fluoroindazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156506411
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[6-[4-[2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]-3,3-difluoropiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-3-pyridinyl]-7-fluoroindazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156515593
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[4-[4-[2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]-3,3-difluoropiperidin-1-yl]acetyl]piperazin-1-yl]phenyl]-4-fluoroindazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156515641
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[4-[4-[2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylpyrazolo[4,3-c]pyridin-6-yl]-3,3-difluoropiperidin-1-yl]acetyl]piperazin-1-yl]phenyl]-4-fluoroindazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156515643
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[6-[4-[2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]-3,3-difluoropiperidin-1-yl]acetyl]piperazin-1-yl]-3-pyridinyl]-7-fluoroindazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156515675
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[4-[4-[2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylpyrazolo[4,3-b]pyridin-6-yl]-3,3-difluoropiperidin-1-yl]acetyl]piperazin-1-yl]phenyl]-4-fluoroindazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156516016
2-[2,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[5-(2-methyl-4-pyridinyl)thiophen-2-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[2-methyl-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[5-methyl-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;N-(5-pyrazin-2-yl-2-pyridinyl)-2-(4-pyridin-3-ylpyrazol-1-yl)acetamide;N-(5-pyrazin-2-yl-2-pyridinyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]acetamide;N-(5-pyrazin-2-yl-2-pyridinyl)-2-[4-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-1-yl]acetamide
CID 157428486
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-(3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine;N-[5-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide;3-methyl-N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
CID 158861671
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-(3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine;N-[5-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide;N-[5-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide;3-methyl-N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
CID 161023881

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;2-tert-butyl-5,8-dimethyl-7H-pteridin-6-one;6-tert-butylimidazo[1,2-a]pyridine;1-tert-butylindazole;5,8-dimethyl-6,7-dihydropteridine;decakis(2,2-dimethylpropane);ethane;imidazo[1,5-a]pyridine;6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;1-methyl-3,4-dihydro-2H-quinoline;2-methylpropane;9-methylpurine;1-methylpyrazolo[4,5-b]pyridine;1-methylpyrazolo[4,5-c]pyridine;1-methylpyrazolo[5,4-c]pyridine;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;1-methylpyrrolo[3,2-c]pyridine;5-methylpyrrolo[3,2-d]pyrimidine;quinoline;thieno[2,3-d]pyrimidine?
The IUPAC name of 5-tert-butyl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;2-tert-butyl-5,8-dimethyl-7H-pteridin-6-one;6-tert-butylimidazo[1,2-a]pyridine;1-tert-butylindazole;5,8-dimethyl-6,7-dihydropteridine;decakis(2,2-dimethylpropane);ethane;imidazo[1,5-a]pyridine;6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;1-methyl-3,4-dihydro-2H-quinoline;2-methylpropane;9-methylpurine;1-methylpyrazolo[4,5-b]pyridine;1-methylpyrazolo[4,5-c]pyridine;1-methylpyrazolo[5,4-c]pyridine;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;1-methylpyrrolo[3,2-c]pyridine;5-methylpyrrolo[3,2-d]pyrimidine;quinoline;thieno[2,3-d]pyrimidine (CID 158016918) is 5-tert-butyl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;2-tert-butyl-5,8-dimethyl-7H-pteridin-6-one;6-tert-butylimidazo[1,2-a]pyridine;1-tert-butylindazole;5,8-dimethyl-6,7-dihydropteridine;decakis(2,2-dimethylpropane);ethane;imidazo[1,5-a]pyridine;6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;1-methyl-3,4-dihydro-2H-quinoline;2-methylpropane;9-methylpurine;1-methylpyrazolo[4,5-b]pyridine;1-methylpyrazolo[4,5-c]pyridine;1-methylpyrazolo[5,4-c]pyridine;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;1-methylpyrrolo[3,2-c]pyridine;5-methylpyrrolo[3,2-d]pyrimidine;quinoline;thieno[2,3-d]pyrimidine.
What is the SMILES notation for 5-tert-butyl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;2-tert-butyl-5,8-dimethyl-7H-pteridin-6-one;6-tert-butylimidazo[1,2-a]pyridine;1-tert-butylindazole;5,8-dimethyl-6,7-dihydropteridine;decakis(2,2-dimethylpropane);ethane;imidazo[1,5-a]pyridine;6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;1-methyl-3,4-dihydro-2H-quinoline;2-methylpropane;9-methylpurine;1-methylpyrazolo[4,5-b]pyridine;1-methylpyrazolo[4,5-c]pyridine;1-methylpyrazolo[5,4-c]pyridine;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;1-methylpyrrolo[3,2-c]pyridine;5-methylpyrrolo[3,2-d]pyrimidine;quinoline;thieno[2,3-d]pyrimidine?
The canonical SMILES for 5-tert-butyl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;2-tert-butyl-5,8-dimethyl-7H-pteridin-6-one;6-tert-butylimidazo[1,2-a]pyridine;1-tert-butylindazole;5,8-dimethyl-6,7-dihydropteridine;decakis(2,2-dimethylpropane);ethane;imidazo[1,5-a]pyridine;6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;1-methyl-3,4-dihydro-2H-quinoline;2-methylpropane;9-methylpurine;1-methylpyrazolo[4,5-b]pyridine;1-methylpyrazolo[4,5-c]pyridine;1-methylpyrazolo[5,4-c]pyridine;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;1-methylpyrrolo[3,2-c]pyridine;5-methylpyrrolo[3,2-d]pyrimidine;quinoline;thieno[2,3-d]pyrimidine is 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)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1ccc2nccn2c1.CC(C)(C)c1cnc2c(c1)CC(=O)N2.CC(C)(C)n1ncc2ccccc21.CC(C)C.CN1CC(=O)N(C)c2cnc(C(C)(C)C)nc21.CN1CCCc2ccccc21.CN1CCN(C)c2ncncc21.CN1CCc2ncncc2C1.Cn1ccc2cccnc21.Cn1ccc2ccncc21.Cn1ccc2cnccc21.Cn1ccc2ncncc21.Cn1cnc2cncnc21.Cn1ncc2ccncc21.Cn1ncc2cnccc21.Cn1ncc2ncccc21.c1ccc2ncccc2c1.c1ccn2cncc2c1.c1ncc2ccsc2n1.
What is the InChIKey of 5-tert-butyl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;2-tert-butyl-5,8-dimethyl-7H-pteridin-6-one;6-tert-butylimidazo[1,2-a]pyridine;1-tert-butylindazole;5,8-dimethyl-6,7-dihydropteridine;decakis(2,2-dimethylpropane);ethane;imidazo[1,5-a]pyridine;6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;1-methyl-3,4-dihydro-2H-quinoline;2-methylpropane;9-methylpurine;1-methylpyrazolo[4,5-b]pyridine;1-methylpyrazolo[4,5-c]pyridine;1-methylpyrazolo[5,4-c]pyridine;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;1-methylpyrrolo[3,2-c]pyridine;5-methylpyrrolo[3,2-d]pyrimidine;quinoline;thieno[2,3-d]pyrimidine?
The InChIKey is FFOVYDFDBZCKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O.C11H14N2O.2C11H14N2.C10H13N.C9H7N.C8H12N4.C8H11N3.3C8H8N2.4C7H7N3.C7H6N2.C6H6N4.C6H4N2S.10C5H12.C4H10.7C2H6/c1-12(2,3)11-13-6-8-10(14-11)15(4)7-9(17)16(8)5;1-11(2,3)8-4-7-5-9(14)13-10(7)12-6-8;1-11(2,3)9-4-5-10-12-6-7-13(10)8-9;1-11(2,3)13-10-7-5-4-6-9(10)8-12-13;1-11-8-4-6-9-5-2-3-7-10(9)11;1-2-6-9-8(4-1)5-3-7-10-9;1-11-3-4-12(2)8-7(11)5-9-6-10-8;1-11-3-2-8-7(5-11)4-9-6-10-8;1-10-5-3-7-6-9-4-2-8(7)10;1-10-5-3-7-2-4-9-6-8(7)10;1-10-6-4-7-3-2-5-9-8(7)10;1-10-7-2-3-8-4-6(7)5-9-10;1-10-3-2-6-7(10)4-8-5-9-6;1-10-7-5-8-3-2-6(7)4-9-10;1-10-7-3-2-4-8-6(7)5-9-10;1-2-4-9-6-8-5-7(9)3-1;1-10-4-9-5-2-7-3-8-6(5)10;1-2-9-6-5(1)3-7-4-8-6;10*1-5(2,3)4;1-4(2)3;7*1-2/h6H,7H2,1-5H3;4,6H,5H2,1-3H3,(H,12,13,14);2*4-8H,1-3H3;2-3,5,7H,4,6,8H2,1H3;1-7H;5-6H,3-4H2,1-2H3;4,6H,2-3,5H2,1H3;3*2-6H,1H3;4*2-5H,1H3;1-6H;2-4H,1H3;1-4H;10*1-4H3;4H,1-3H3;7*1-2H3.
What are the key properties of 5-tert-butyl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;2-tert-butyl-5,8-dimethyl-7H-pteridin-6-one;6-tert-butylimidazo[1,2-a]pyridine;1-tert-butylindazole;5,8-dimethyl-6,7-dihydropteridine;decakis(2,2-dimethylpropane);ethane;imidazo[1,5-a]pyridine;6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;1-methyl-3,4-dihydro-2H-quinoline;2-methylpropane;9-methylpurine;1-methylpyrazolo[4,5-b]pyridine;1-methylpyrazolo[4,5-c]pyridine;1-methylpyrazolo[5,4-c]pyridine;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;1-methylpyrrolo[3,2-c]pyridine;5-methylpyrrolo[3,2-d]pyrimidine;quinoline;thieno[2,3-d]pyrimidine?
5-tert-butyl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;2-tert-butyl-5,8-dimethyl-7H-pteridin-6-one;6-tert-butylimidazo[1,2-a]pyridine;1-tert-butylindazole;5,8-dimethyl-6,7-dihydropteridine;decakis(2,2-dimethylpropane);ethane;imidazo[1,5-a]pyridine;6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;1-methyl-3,4-dihydro-2H-quinoline;2-methylpropane;9-methylpurine;1-methylpyrazolo[4,5-b]pyridine;1-methylpyrazolo[4,5-c]pyridine;1-methylpyrazolo[5,4-c]pyridine;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;1-methylpyrrolo[3,2-c]pyridine;5-methylpyrrolo[3,2-d]pyrimidine;quinoline;thieno[2,3-d]pyrimidine has a molecular weight of 3670.53 g/mol, XLogP of 54.97, 0 rotatable bonds, 1 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;2-tert-butyl-5,8-dimethyl-7H-pteridin-6-one;6-tert-butylimidazo[1,2-a]pyridine;1-tert-butylindazole;5,8-dimethyl-6,7-dihydropteridine;decakis(2,2-dimethylpropane);ethane;imidazo[1,5-a]pyridine;6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;1-methyl-3,4-dihydro-2H-quinoline;2-methylpropane;9-methylpurine;1-methylpyrazolo[4,5-b]pyridine;1-methylpyrazolo[4,5-c]pyridine;1-methylpyrazolo[5,4-c]pyridine;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;1-methylpyrrolo[3,2-c]pyridine;5-methylpyrrolo[3,2-d]pyrimidine;quinoline;thieno[2,3-d]pyrimidine is sourced from PubChem (CID 158016918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).