6,7-dihydro-5H-1-benzothiophen-4-one;ethane;furo[3,2-b]pyridine;imidazo[1,2-a]pyrimidine;1-methyl-6,7-dihydro-3H-cyclopenta[f]indole-2,5-dione;1-methyl-3H-indol-2-one;1-methylpyrazole;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1,3,7,8-tetramethylpurine-2,6-dione;1,3,8,9-tetramethylpurine-2,6-dione

C108H170N20O9S — CID 159850476

IUPAC6,7-dihydro-5H-1-benzothiophen-4-one;ethane;furo[3,2-b]pyridine;imidazo[1,2-a]pyrimidine;1-methyl-6,7-dihydro-3H-cyclopenta[f]indole-2,5-dione;1-methyl-3H-indol-2-one;1-methylpyrazole;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1,3,7,8-tetramethylpurine-2,6-dione;1,3,8,9-tetramethylpurine-2,6-dione
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CN1C(=O)Cc2cc3c(cc21)CCC3=O.CN1C(=O)Cc2ccccc21.Cc1nc2c(=O)n(C)c(=O)n(C)c2n1C.Cc1nc2c(c(=O)n(C)c(=O)n2C)n1C.Cn1cccn1.O=C1CCCc2sccc21.c1cc2cc[nH]c2cn1.c1cnc2cc[nH]c2c1.c1cnc2ccoc2c1.c1cnc2nccn2c1
InChIInChI=1S/C12H11NO2.2C9H12N4O2.C9H9NO.C8H8OS.2C7H6N2.C7H5NO.C6H5N3.C4H6N2.15C2H6/c1-13-10-5-7-2-3-11(14)9(7)4-8(10)6-12(13)15;1-5-10-7-6(11(5)2)8(14)13(4)9(15)12(7)3;1-5-10-6-7(11(5)2)12(3)9(15)13(4)8(6)14;1-10-8-5-3-2-4-7(8)6-9(10)11;9-7-2-1-3-8-6(7)4-5-10-8;1-3-8-5-7-6(1)2-4-9-7;1-2-6-7(8-4-1)3-5-9-6;1-2-7-6(8-4-1)3-5-9-7;1-2-7-6-8-3-5-9(6)4-1;1-6-4-2-3-5-6;15*1-2/h4-5H,2-3,6H2,1H3;2*1-4H3;2-5H,6H2,1H3;4-5H,1-3H2;2*1-5,9H;2*1-5H;2-4H,1H3;15*1-2H3
InChIKeyNPWDETUVYQVLGD-UHFFFAOYSA-N
MW1924.75 g/mol
LogP24.86
Rot. Bonds

About 6,7-dihydro-5H-1-benzothiophen-4-one;ethane;furo[3,2-b]pyridine;imidazo[1,2-a]pyrimidine;1-methyl-6,7-dihydro-3H-cyclopenta[f]indole-2,5-dione;1-methyl-3H-indol-2-one;1-methylpyrazole;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1,3,7,8-tetramethylpurine-2,6-dione;1,3,8,9-tetramethylpurine-2,6-dione

6,7-dihydro-5H-1-benzothiophen-4-one;ethane;furo[3,2-b]pyridine;imidazo[1,2-a]pyrimidine;1-methyl-6,7-dihydro-3H-cyclopenta[f]indole-2,5-dione;1-methyl-3H-indol-2-one;1-methylpyrazole;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1,3,7,8-tetramethylpurine-2,6-dione;1,3,8,9-tetramethylpurine-2,6-dione (PubChem CID 159850476) has the molecular formula C108H170N20O9S and a molecular weight of 1924.75 g/mol. Its IUPAC name is 6,7-dihydro-5H-1-benzothiophen-4-one;ethane;furo[3,2-b]pyridine;imidazo[1,2-a]pyrimidine;1-methyl-6,7-dihydro-3H-cyclopenta[f]indole-2,5-dione;1-methyl-3H-indol-2-one;1-methylpyrazole;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1,3,7,8-tetramethylpurine-2,6-dione;1,3,8,9-tetramethylpurine-2,6-dione.

Molecular Properties

Compound Name6,7-dihydro-5H-1-benzothiophen-4-one;ethane;furo[3,2-b]pyridine;imidazo[1,2-a]pyrimidine;1-methyl-6,7-dihydro-3H-cyclopenta[f]indole-2,5-dione;1-methyl-3H-indol-2-one;1-methylpyrazole;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1,3,7,8-tetramethylpurine-2,6-dione;1,3,8,9-tetramethylpurine-2,6-dione
PubChem CID159850476
Molecular FormulaC108H170N20O9S
Molecular Weight1924.75 g/mol
Exact Mass1923.32
IUPAC Name6,7-dihydro-5H-1-benzothiophen-4-one;ethane;furo[3,2-b]pyridine;imidazo[1,2-a]pyrimidine;1-methyl-6,7-dihydro-3H-cyclopenta[f]indole-2,5-dione;1-methyl-3H-indol-2-one;1-methylpyrazole;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1,3,7,8-tetramethylpurine-2,6-dione;1,3,8,9-tetramethylpurine-2,6-dione
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CN1C(=O)Cc2cc3c(cc21)CCC3=O.CN1C(=O)Cc2ccccc21.Cc1nc2c(=O)n(C)c(=O)n(C)c2n1C.Cc1nc2c(c(=O)n(C)c(=O)n2C)n1C.Cn1cccn1.O=C1CCCc2sccc21.c1cc2cc[nH]c2cn1.c1cnc2cc[nH]c2c1.c1cnc2ccoc2c1.c1cnc2nccn2c1
InChIInChI=1S/C12H11NO2.2C9H12N4O2.C9H9NO.C8H8OS.2C7H6N2.C7H5NO.C6H5N3.C4H6N2.15C2H6/c1-13-10-5-7-2-3-11(14)9(7)4-8(10)6-12(13)15;1-5-10-7-6(11(5)2)8(14)13(4)9(15)12(7)3;1-5-10-6-7(11(5)2)12(3)9(15)13(4)8(6)14;1-10-8-5-3-2-4-7(8)6-9(10)11;9-7-2-1-3-8-6(7)4-5-10-8;1-3-8-5-7-6(1)2-4-9-7;1-2-6-7(8-4-1)3-5-9-6;1-2-7-6(8-4-1)3-5-9-7;1-2-7-6-8-3-5-9(6)4-1;1-6-4-2-3-5-6;15*1-2/h4-5H,2-3,6H2,1H3;2*1-4H3;2-5H,6H2,1H3;4-5H,1-3H2;2*1-5,9H;2*1-5H;2-4H,1H3;15*1-2H3
InChIKeyNPWDETUVYQVLGD-UHFFFAOYSA-N
XLogP24.86
TPSA329.80 Ų
H-Bond Donors2
H-Bond Acceptors26
Rotatable Bonds
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001924.75
LogP ≤ 524.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1026

Analyze 6,7-dihydro-5H-1-benzothiophen-4-one;ethane;furo[3,2-b]pyridine;imidazo[1,2-a]pyrimidine;1-methyl-6,7-dihydro-3H-cyclopenta[f]indole-2,5-dione;1-methyl-3H-indol-2-one;1-methylpyrazole;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1,3,7,8-tetramethylpurine-2,6-dione;1,3,8,9-tetramethylpurine-2,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-1-benzothiophen-4-one;ethane;furo[3,2-b]pyridine;imidazo[1,2-a]pyrimidine;1-methyl-6,7-dihydro-3H-cyclopenta[f]indole-2,5-dione;1-methyl-3H-indol-2-one;1-methylpyrazole;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1,3,7,8-tetramethylpurine-2,6-dione;1,3,8,9-tetramethylpurine-2,6-dione?
The IUPAC name of 6,7-dihydro-5H-1-benzothiophen-4-one;ethane;furo[3,2-b]pyridine;imidazo[1,2-a]pyrimidine;1-methyl-6,7-dihydro-3H-cyclopenta[f]indole-2,5-dione;1-methyl-3H-indol-2-one;1-methylpyrazole;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1,3,7,8-tetramethylpurine-2,6-dione;1,3,8,9-tetramethylpurine-2,6-dione (CID 159850476) is 6,7-dihydro-5H-1-benzothiophen-4-one;ethane;furo[3,2-b]pyridine;imidazo[1,2-a]pyrimidine;1-methyl-6,7-dihydro-3H-cyclopenta[f]indole-2,5-dione;1-methyl-3H-indol-2-one;1-methylpyrazole;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1,3,7,8-tetramethylpurine-2,6-dione;1,3,8,9-tetramethylpurine-2,6-dione.
What is the SMILES notation for 6,7-dihydro-5H-1-benzothiophen-4-one;ethane;furo[3,2-b]pyridine;imidazo[1,2-a]pyrimidine;1-methyl-6,7-dihydro-3H-cyclopenta[f]indole-2,5-dione;1-methyl-3H-indol-2-one;1-methylpyrazole;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1,3,7,8-tetramethylpurine-2,6-dione;1,3,8,9-tetramethylpurine-2,6-dione?
The canonical SMILES for 6,7-dihydro-5H-1-benzothiophen-4-one;ethane;furo[3,2-b]pyridine;imidazo[1,2-a]pyrimidine;1-methyl-6,7-dihydro-3H-cyclopenta[f]indole-2,5-dione;1-methyl-3H-indol-2-one;1-methylpyrazole;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1,3,7,8-tetramethylpurine-2,6-dione;1,3,8,9-tetramethylpurine-2,6-dione is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CN1C(=O)Cc2cc3c(cc21)CCC3=O.CN1C(=O)Cc2ccccc21.Cc1nc2c(=O)n(C)c(=O)n(C)c2n1C.Cc1nc2c(c(=O)n(C)c(=O)n2C)n1C.Cn1cccn1.O=C1CCCc2sccc21.c1cc2cc[nH]c2cn1.c1cnc2cc[nH]c2c1.c1cnc2ccoc2c1.c1cnc2nccn2c1.
What is the InChIKey of 6,7-dihydro-5H-1-benzothiophen-4-one;ethane;furo[3,2-b]pyridine;imidazo[1,2-a]pyrimidine;1-methyl-6,7-dihydro-3H-cyclopenta[f]indole-2,5-dione;1-methyl-3H-indol-2-one;1-methylpyrazole;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1,3,7,8-tetramethylpurine-2,6-dione;1,3,8,9-tetramethylpurine-2,6-dione?
The InChIKey is NPWDETUVYQVLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2.2C9H12N4O2.C9H9NO.C8H8OS.2C7H6N2.C7H5NO.C6H5N3.C4H6N2.15C2H6/c1-13-10-5-7-2-3-11(14)9(7)4-8(10)6-12(13)15;1-5-10-7-6(11(5)2)8(14)13(4)9(15)12(7)3;1-5-10-6-7(11(5)2)12(3)9(15)13(4)8(6)14;1-10-8-5-3-2-4-7(8)6-9(10)11;9-7-2-1-3-8-6(7)4-5-10-8;1-3-8-5-7-6(1)2-4-9-7;1-2-6-7(8-4-1)3-5-9-6;1-2-7-6(8-4-1)3-5-9-7;1-2-7-6-8-3-5-9(6)4-1;1-6-4-2-3-5-6;15*1-2/h4-5H,2-3,6H2,1H3;2*1-4H3;2-5H,6H2,1H3;4-5H,1-3H2;2*1-5,9H;2*1-5H;2-4H,1H3;15*1-2H3.
What are the key properties of 6,7-dihydro-5H-1-benzothiophen-4-one;ethane;furo[3,2-b]pyridine;imidazo[1,2-a]pyrimidine;1-methyl-6,7-dihydro-3H-cyclopenta[f]indole-2,5-dione;1-methyl-3H-indol-2-one;1-methylpyrazole;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1,3,7,8-tetramethylpurine-2,6-dione;1,3,8,9-tetramethylpurine-2,6-dione?
6,7-dihydro-5H-1-benzothiophen-4-one;ethane;furo[3,2-b]pyridine;imidazo[1,2-a]pyrimidine;1-methyl-6,7-dihydro-3H-cyclopenta[f]indole-2,5-dione;1-methyl-3H-indol-2-one;1-methylpyrazole;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1,3,7,8-tetramethylpurine-2,6-dione;1,3,8,9-tetramethylpurine-2,6-dione has a molecular weight of 1924.75 g/mol, XLogP of 24.86, 0 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-1-benzothiophen-4-one;ethane;furo[3,2-b]pyridine;imidazo[1,2-a]pyrimidine;1-methyl-6,7-dihydro-3H-cyclopenta[f]indole-2,5-dione;1-methyl-3H-indol-2-one;1-methylpyrazole;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1,3,7,8-tetramethylpurine-2,6-dione;1,3,8,9-tetramethylpurine-2,6-dione is sourced from PubChem (CID 159850476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).