bis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);benzene;cyclohexa-2,4-dien-1-one;cyclopenta-1,3-diene;1,4-dihydroindol-7-one;5,7-dimethylimidazo[1,2-c]pyrimidine;furo[3,2-b]pyridine;1H-imidazo[4,5-b]pyridine;6-methyl-[1,2,4]triazolo[1,5-a]pyrazine;7-methyl-[1,2,4]triazolo[4,3-c]pyrimidine;naphthalene;pyrazolo[1,5-a]pyridine;pyridine;1H-pyrrolo[3,2-b]pyridine;quinoline;thieno[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine

C139H142N26O3S — CID 162273810

About bis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);benzene;cyclohexa-2,4-dien-1-one;cyclopenta-1,3-diene;1,4-dihydroindol-7-one;5,7-dimethylimidazo[1,2-c]pyrimidine;furo[3,2-b]pyridine;1H-imidazo[4,5-b]pyridine;6-methyl-[1,2,4]triazolo[1,5-a]pyrazine;7-methyl-[1,2,4]triazolo[4,3-c]pyrimidine;naphthalene;pyrazolo[1,5-a]pyridine;pyridine;1H-pyrrolo[3,2-b]pyridine;quinoline;thieno[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine

bis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);benzene;cyclohexa-2,4-dien-1-one;cyclopenta-1,3-diene;1,4-dihydroindol-7-one;5,7-dimethylimidazo[1,2-c]pyrimidine;furo[3,2-b]pyridine;1H-imidazo[4,5-b]pyridine;6-methyl-[1,2,4]triazolo[1,5-a]pyrazine;7-methyl-[1,2,4]triazolo[4,3-c]pyrimidine;naphthalene;pyrazolo[1,5-a]pyridine;pyridine;1H-pyrrolo[3,2-b]pyridine;quinoline;thieno[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 162273810) has the molecular formula C139H142N26O3S and a molecular weight of 2256.91 g/mol. Its IUPAC name is bis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);benzene;cyclohexa-2,4-dien-1-one;cyclopenta-1,3-diene;1,4-dihydroindol-7-one;5,7-dimethylimidazo[1,2-c]pyrimidine;furo[3,2-b]pyridine;1H-imidazo[4,5-b]pyridine;6-methyl-[1,2,4]triazolo[1,5-a]pyrazine;7-methyl-[1,2,4]triazolo[4,3-c]pyrimidine;naphthalene;pyrazolo[1,5-a]pyridine;pyridine;1H-pyrrolo[3,2-b]pyridine;quinoline;thieno[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

• Compound Name: bis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);benzene;cyclohexa-2,4-dien-1-one;cyclopenta-1,3-diene;1,4-dihydroindol-7-one;5,7-dimethylimidazo[1,2-c]pyrimidine;furo[3,2-b]pyridine;1H-imidazo[4,5-b]pyridine;6-methyl-[1,2,4]triazolo[1,5-a]pyrazine;7-methyl-[1,2,4]triazolo[4,3-c]pyrimidine;naphthalene;pyrazolo[1,5-a]pyridine;pyridine;1H-pyrrolo[3,2-b]pyridine;quinoline;thieno[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine
• PubChem CID: 162273810
• Molecular Formula: C139H142N26O3S
• Molecular Weight: 2256.91 g/mol
• Exact Mass: 2255.15
• IUPAC Name: bis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);benzene;cyclohexa-2,4-dien-1-one;cyclopenta-1,3-diene;1,4-dihydroindol-7-one;5,7-dimethylimidazo[1,2-c]pyrimidine;furo[3,2-b]pyridine;1H-imidazo[4,5-b]pyridine;6-methyl-[1,2,4]triazolo[1,5-a]pyrazine;7-methyl-[1,2,4]triazolo[4,3-c]pyrimidine;naphthalene;pyrazolo[1,5-a]pyridine;pyridine;1H-pyrrolo[3,2-b]pyridine;quinoline;thieno[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine
• SMILES: C1=CCC=C1.C1CCC2CCCC2C1.C1CCC2CCCC2C1.Cc1cc2nccn2c(C)n1.Cc1cc2nncn2cn1.Cc1cn2ncnc2cn1.O=C1C=CC=CC1.O=C1C=CCc2cc[nH]c21.c1ccc2ccccc2c1.c1ccc2ncccc2c1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccn2nccc2c1.c1ccn2ncnc2c1.c1ccncc1.c1cnc2cc[nH]c2c1.c1cnc2ccoc2c1.c1cnc2ccsc2c1.c1cnc2nc[nH]c2c1
• InChI: InChI=1S/C10H8.C9H7N.2C9H16.C8H9N3.C8H7NO.2C7H6N2.C7H5NO.C7H5NS.2C6H6N4.2C6H5N3.C6H6O.3C6H6.C5H5N.C5H6/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;2*1-2-5-9-7-3-6-8(9)4-1;1-6-5-8-9-3-4-11(8)7(2)10-6;10-7-3-1-2-6-4-5-9-8(6)7;1-2-6-7(8-4-1)3-5-9-6;1-2-6-9-7(3-1)4-5-8-9;2*1-2-7-6(8-4-1)3-5-9-7;1-5-3-10-6(2-7-5)8-4-9-10;1-5-2-6-9-8-4-10(6)3-7-5;1-2-5-6(7-3-1)9-4-8-5;1-2-4-9-6(3-1)7-5-8-9;7-6-4-2-1-3-5-6;4*1-2-4-6-5-3-1;1-2-4-5-3-1/h1-8H;1-7H;2*8-9H,1-7H2;3-5H,1-2H3;1,3-5,9H,2H2;1-5,9H;1-6H;2*1-5H;2*2-4H,1H3;1-4H,(H,7,8,9);1-5H;1-4H,5H2;3*1-6H;1-5H;1-4H,5H2
• InChIKey: NYZXLOTUYSPBOX-UHFFFAOYSA-N
• XLogP: 31.97
• TPSA: 348.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 27
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2256.91
LogP ≤ 5	31.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of bis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);benzene;cyclohexa-2,4-dien-1-one;cyclopenta-1,3-diene;1,4-dihydroindol-7-one;5,7-dimethylimidazo[1,2-c]pyrimidine;furo[3,2-b]pyridine;1H-imidazo[4,5-b]pyridine;6-methyl-[1,2,4]triazolo[1,5-a]pyrazine;7-methyl-[1,2,4]triazolo[4,3-c]pyrimidine;naphthalene;pyrazolo[1,5-a]pyridine;pyridine;1H-pyrrolo[3,2-b]pyridine;quinoline;thieno[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine?

The IUPAC name of bis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);benzene;cyclohexa-2,4-dien-1-one;cyclopenta-1,3-diene;1,4-dihydroindol-7-one;5,7-dimethylimidazo[1,2-c]pyrimidine;furo[3,2-b]pyridine;1H-imidazo[4,5-b]pyridine;6-methyl-[1,2,4]triazolo[1,5-a]pyrazine;7-methyl-[1,2,4]triazolo[4,3-c]pyrimidine;naphthalene;pyrazolo[1,5-a]pyridine;pyridine;1H-pyrrolo[3,2-b]pyridine;quinoline;thieno[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine (CID 162273810) is bis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);benzene;cyclohexa-2,4-dien-1-one;cyclopenta-1,3-diene;1,4-dihydroindol-7-one;5,7-dimethylimidazo[1,2-c]pyrimidine;furo[3,2-b]pyridine;1H-imidazo[4,5-b]pyridine;6-methyl-[1,2,4]triazolo[1,5-a]pyrazine;7-methyl-[1,2,4]triazolo[4,3-c]pyrimidine;naphthalene;pyrazolo[1,5-a]pyridine;pyridine;1H-pyrrolo[3,2-b]pyridine;quinoline;thieno[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine.

What is the SMILES notation for bis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);benzene;cyclohexa-2,4-dien-1-one;cyclopenta-1,3-diene;1,4-dihydroindol-7-one;5,7-dimethylimidazo[1,2-c]pyrimidine;furo[3,2-b]pyridine;1H-imidazo[4,5-b]pyridine;6-methyl-[1,2,4]triazolo[1,5-a]pyrazine;7-methyl-[1,2,4]triazolo[4,3-c]pyrimidine;naphthalene;pyrazolo[1,5-a]pyridine;pyridine;1H-pyrrolo[3,2-b]pyridine;quinoline;thieno[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine?

The canonical SMILES for bis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);benzene;cyclohexa-2,4-dien-1-one;cyclopenta-1,3-diene;1,4-dihydroindol-7-one;5,7-dimethylimidazo[1,2-c]pyrimidine;furo[3,2-b]pyridine;1H-imidazo[4,5-b]pyridine;6-methyl-[1,2,4]triazolo[1,5-a]pyrazine;7-methyl-[1,2,4]triazolo[4,3-c]pyrimidine;naphthalene;pyrazolo[1,5-a]pyridine;pyridine;1H-pyrrolo[3,2-b]pyridine;quinoline;thieno[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine is C1=CCC=C1.C1CCC2CCCC2C1.C1CCC2CCCC2C1.Cc1cc2nccn2c(C)n1.Cc1cc2nncn2cn1.Cc1cn2ncnc2cn1.O=C1C=CC=CC1.O=C1C=CCc2cc[nH]c21.c1ccc2ccccc2c1.c1ccc2ncccc2c1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccn2nccc2c1.c1ccn2ncnc2c1.c1ccncc1.c1cnc2cc[nH]c2c1.c1cnc2ccoc2c1.c1cnc2ccsc2c1.c1cnc2nc[nH]c2c1.

What is the InChIKey of bis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);benzene;cyclohexa-2,4-dien-1-one;cyclopenta-1,3-diene;1,4-dihydroindol-7-one;5,7-dimethylimidazo[1,2-c]pyrimidine;furo[3,2-b]pyridine;1H-imidazo[4,5-b]pyridine;6-methyl-[1,2,4]triazolo[1,5-a]pyrazine;7-methyl-[1,2,4]triazolo[4,3-c]pyrimidine;naphthalene;pyrazolo[1,5-a]pyridine;pyridine;1H-pyrrolo[3,2-b]pyridine;quinoline;thieno[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine?

The InChIKey is NYZXLOTUYSPBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.C9H7N.2C9H16.C8H9N3.C8H7NO.2C7H6N2.C7H5NO.C7H5NS.2C6H6N4.2C6H5N3.C6H6O.3C6H6.C5H5N.C5H6/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;2*1-2-5-9-7-3-6-8(9)4-1;1-6-5-8-9-3-4-11(8)7(2)10-6;10-7-3-1-2-6-4-5-9-8(6)7;1-2-6-7(8-4-1)3-5-9-6;1-2-6-9-7(3-1)4-5-8-9;2*1-2-7-6(8-4-1)3-5-9-7;1-5-3-10-6(2-7-5)8-4-9-10;1-5-2-6-9-8-4-10(6)3-7-5;1-2-5-6(7-3-1)9-4-8-5;1-2-4-9-6(3-1)7-5-8-9;7-6-4-2-1-3-5-6;4*1-2-4-6-5-3-1;1-2-4-5-3-1/h1-8H;1-7H;2*8-9H,1-7H2;3-5H,1-2H3;1,3-5,9H,2H2;1-5,9H;1-6H;2*1-5H;2*2-4H,1H3;1-4H,(H,7,8,9);1-5H;1-4H,5H2;3*1-6H;1-5H;1-4H,5H2.

What are the key properties of bis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);benzene;cyclohexa-2,4-dien-1-one;cyclopenta-1,3-diene;1,4-dihydroindol-7-one;5,7-dimethylimidazo[1,2-c]pyrimidine;furo[3,2-b]pyridine;1H-imidazo[4,5-b]pyridine;6-methyl-[1,2,4]triazolo[1,5-a]pyrazine;7-methyl-[1,2,4]triazolo[4,3-c]pyrimidine;naphthalene;pyrazolo[1,5-a]pyridine;pyridine;1H-pyrrolo[3,2-b]pyridine;quinoline;thieno[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine?

bis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);benzene;cyclohexa-2,4-dien-1-one;cyclopenta-1,3-diene;1,4-dihydroindol-7-one;5,7-dimethylimidazo[1,2-c]pyrimidine;furo[3,2-b]pyridine;1H-imidazo[4,5-b]pyridine;6-methyl-[1,2,4]triazolo[1,5-a]pyrazine;7-methyl-[1,2,4]triazolo[4,3-c]pyrimidine;naphthalene;pyrazolo[1,5-a]pyridine;pyridine;1H-pyrrolo[3,2-b]pyridine;quinoline;thieno[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 2256.91 g/mol, XLogP of 31.97, 0 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);benzene;cyclohexa-2,4-dien-1-one;cyclopenta-1,3-diene;1,4-dihydroindol-7-one;5,7-dimethylimidazo[1,2-c]pyrimidine;furo[3,2-b]pyridine;1H-imidazo[4,5-b]pyridine;6-methyl-[1,2,4]triazolo[1,5-a]pyrazine;7-methyl-[1,2,4]triazolo[4,3-c]pyrimidine;naphthalene;pyrazolo[1,5-a]pyridine;pyridine;1H-pyrrolo[3,2-b]pyridine;quinoline;thieno[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 162273810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).