2-benzothiophene;cinnoline;2,3-dihydro-1H-pyrrolizine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;3H-imidazo[4,5-c]pyridine;imidazo[1,2-c]pyrimidine;1H-imidazo[4,5-d]pyridazine;indolizine;2H-isoindole;isoquinoline;1,6-naphthyridine;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;[1,3]oxazolo[4,5-d]pyrimidine;phthalazine;7H-purine;pyrazolo[1,5-a]pyridine;1H-pyrazolo[5,4-b]pyridine;pyrido[3,2-d]pyrimidine;pyrrolo[1,2-b]pyridazine;quinazoline;quinoline;quinoxaline;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;[1,3]thiazolo[4,5-d]pyrimidine;[1,3]thiazolo[5,4-d]pyrimidine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine

C233H181N77O5S7 — CID 158446904

IUPAC2-benzothiophene;cinnoline;2,3-dihydro-1H-pyrrolizine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;3H-imidazo[4,5-c]pyridine;imidazo[1,2-c]pyrimidine;1H-imidazo[4,5-d]pyridazine;indolizine;2H-isoindole;isoquinoline;1,6-naphthyridine;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;[1,3]oxazolo[4,5-d]pyrimidine;phthalazine;7H-purine;pyrazolo[1,5-a]pyridine;1H-pyrazolo[5,4-b]pyridine;pyrido[3,2-d]pyrimidine;pyrrolo[1,2-b]pyridazine;quinazoline;quinoline;quinoxaline;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;[1,3]thiazolo[4,5-d]pyrimidine;[1,3]thiazolo[5,4-d]pyrimidine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine
SMILESc1cc2n(c1)CCC2.c1cc2nc[nH]c2cn1.c1cc2nccn2cn1.c1cc2ncoc2cn1.c1cc2ncsc2cn1.c1cc2ocnc2cn1.c1cc2scnc2cn1.c1ccc2c[nH]cc2c1.c1ccc2cnccc2c1.c1ccc2cnncc2c1.c1ccc2cscc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1ccc2nnccc2c1.c1ccn2cccc2c1.c1ccn2ccnc2c1.c1ccn2cncc2c1.c1ccn2cnnc2c1.c1ccn2nccc2c1.c1ccn2ncnc2c1.c1cn2ccnc2cn1.c1cnc2[nH]ncc2c1.c1cnc2ccncc2c1.c1cnc2cncnc2c1.c1cnc2ncoc2c1.c1cnc2ncsc2c1.c1cnc2ocnc2c1.c1cnc2scnc2c1.c1cnn2cccc2c1.c1nc2cnncc2[nH]1.c1ncc2[nH]cnc2n1.c1ncc2ncsc2n1.c1ncc2ocnc2n1.c1ncc2scnc2n1
InChIInChI=1S/2C9H7N.5C8H6N2.2C8H7N.C8H6S.C7H5N3.4C7H6N2.C7H9N.6C6H5N3.4C6H4N2O.4C6H4N2S.2C5H4N4.C5H3N3O.2C5H3N3S/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-7-6-9-5-3-8(7)10-4-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-6-10-9-5-7(8)3-1;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-7(3-1)5-6-9-10-8;1-2-6-9-7-3-5-8(9)4-1;2*1-2-4-8-6-9-5-7(8)3-1;1-2-6-7(9-3-1)4-8-5-10-6;1-3-7-4-2-6-9(7)8-5-1;1-2-6-9-7(3-1)4-5-8-9;1-2-5-9-6-4-8-7(9)3-1;1-2-4-9-6-8-5-7(9)3-1;1-3-7-4-2-6-8(7)5-1;1-3-9-4-2-8-6(9)5-7-1;1-2-7-3-6-5(1)8-4-9-6;1-2-7-5-9-4-3-8-6(1)9;1-2-5-4-8-9-6(5)7-3-1;1-2-4-9-5-7-8-6(9)3-1;1-2-4-9-6(3-1)7-5-8-9;1-2-7-3-5-6(1)9-4-8-5;1-2-7-3-6-5(1)8-4-9-6;1-2-5-6(7-3-1)8-4-9-5;1-2-5-6(7-3-1)9-4-8-5;1-2-7-3-5-6(1)9-4-8-5;1-2-7-3-6-5(1)8-4-9-6;1-2-5-6(7-3-1)8-4-9-5;1-2-5-6(7-3-1)9-4-8-5;1-4-5(8-2-6-1)9-3-7-4;1-4-5(2-9-8-1)7-3-6-4;2*1-4-5(7-2-6-1)8-3-9-4;1-4-5(7-2-6-1)9-3-8-4/h2*1-7H;5*1-6H;1-7H;1-6,9H;1-6H;1-5H;4*1-6H;1,3,5H,2,4,6H2;1-5H;1-4H,(H,8,9);1-5H;1-4H,(H,7,8,9);2*1-5H;8*1-4H;1-3H,(H,6,7,8,9);1-3H,(H,6,7);3*1-3H
InChIKeyHDMRFSZQIFKWSO-UHFFFAOYSA-N
MW4364.01 g/mol
LogP47.41
Rot. Bonds

About 2-benzothiophene;cinnoline;2,3-dihydro-1H-pyrrolizine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;3H-imidazo[4,5-c]pyridine;imidazo[1,2-c]pyrimidine;1H-imidazo[4,5-d]pyridazine;indolizine;2H-isoindole;isoquinoline;1,6-naphthyridine;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;[1,3]oxazolo[4,5-d]pyrimidine;phthalazine;7H-purine;pyrazolo[1,5-a]pyridine;1H-pyrazolo[5,4-b]pyridine;pyrido[3,2-d]pyrimidine;pyrrolo[1,2-b]pyridazine;quinazoline;quinoline;quinoxaline;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;[1,3]thiazolo[4,5-d]pyrimidine;[1,3]thiazolo[5,4-d]pyrimidine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine

2-benzothiophene;cinnoline;2,3-dihydro-1H-pyrrolizine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;3H-imidazo[4,5-c]pyridine;imidazo[1,2-c]pyrimidine;1H-imidazo[4,5-d]pyridazine;indolizine;2H-isoindole;isoquinoline;1,6-naphthyridine;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;[1,3]oxazolo[4,5-d]pyrimidine;phthalazine;7H-purine;pyrazolo[1,5-a]pyridine;1H-pyrazolo[5,4-b]pyridine;pyrido[3,2-d]pyrimidine;pyrrolo[1,2-b]pyridazine;quinazoline;quinoline;quinoxaline;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;[1,3]thiazolo[4,5-d]pyrimidine;[1,3]thiazolo[5,4-d]pyrimidine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 158446904) has the molecular formula C233H181N77O5S7 and a molecular weight of 4364.01 g/mol. Its IUPAC name is 2-benzothiophene;cinnoline;2,3-dihydro-1H-pyrrolizine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;3H-imidazo[4,5-c]pyridine;imidazo[1,2-c]pyrimidine;1H-imidazo[4,5-d]pyridazine;indolizine;2H-isoindole;isoquinoline;1,6-naphthyridine;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;[1,3]oxazolo[4,5-d]pyrimidine;phthalazine;7H-purine;pyrazolo[1,5-a]pyridine;1H-pyrazolo[5,4-b]pyridine;pyrido[3,2-d]pyrimidine;pyrrolo[1,2-b]pyridazine;quinazoline;quinoline;quinoxaline;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;[1,3]thiazolo[4,5-d]pyrimidine;[1,3]thiazolo[5,4-d]pyrimidine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name2-benzothiophene;cinnoline;2,3-dihydro-1H-pyrrolizine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;3H-imidazo[4,5-c]pyridine;imidazo[1,2-c]pyrimidine;1H-imidazo[4,5-d]pyridazine;indolizine;2H-isoindole;isoquinoline;1,6-naphthyridine;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;[1,3]oxazolo[4,5-d]pyrimidine;phthalazine;7H-purine;pyrazolo[1,5-a]pyridine;1H-pyrazolo[5,4-b]pyridine;pyrido[3,2-d]pyrimidine;pyrrolo[1,2-b]pyridazine;quinazoline;quinoline;quinoxaline;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;[1,3]thiazolo[4,5-d]pyrimidine;[1,3]thiazolo[5,4-d]pyrimidine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine
PubChem CID158446904
Molecular FormulaC233H181N77O5S7
Molecular Weight4364.01 g/mol
Exact Mass4360.43
IUPAC Name2-benzothiophene;cinnoline;2,3-dihydro-1H-pyrrolizine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;3H-imidazo[4,5-c]pyridine;imidazo[1,2-c]pyrimidine;1H-imidazo[4,5-d]pyridazine;indolizine;2H-isoindole;isoquinoline;1,6-naphthyridine;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;[1,3]oxazolo[4,5-d]pyrimidine;phthalazine;7H-purine;pyrazolo[1,5-a]pyridine;1H-pyrazolo[5,4-b]pyridine;pyrido[3,2-d]pyrimidine;pyrrolo[1,2-b]pyridazine;quinazoline;quinoline;quinoxaline;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;[1,3]thiazolo[4,5-d]pyrimidine;[1,3]thiazolo[5,4-d]pyrimidine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine
SMILESc1cc2n(c1)CCC2.c1cc2nc[nH]c2cn1.c1cc2nccn2cn1.c1cc2ncoc2cn1.c1cc2ncsc2cn1.c1cc2ocnc2cn1.c1cc2scnc2cn1.c1ccc2c[nH]cc2c1.c1ccc2cnccc2c1.c1ccc2cnncc2c1.c1ccc2cscc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1ccc2nnccc2c1.c1ccn2cccc2c1.c1ccn2ccnc2c1.c1ccn2cncc2c1.c1ccn2cnnc2c1.c1ccn2nccc2c1.c1ccn2ncnc2c1.c1cn2ccnc2cn1.c1cnc2[nH]ncc2c1.c1cnc2ccncc2c1.c1cnc2cncnc2c1.c1cnc2ncoc2c1.c1cnc2ncsc2c1.c1cnc2ocnc2c1.c1cnc2scnc2c1.c1cnn2cccc2c1.c1nc2cnncc2[nH]1.c1ncc2[nH]cnc2n1.c1ncc2ncsc2n1.c1ncc2ocnc2n1.c1ncc2scnc2n1
InChIInChI=1S/2C9H7N.5C8H6N2.2C8H7N.C8H6S.C7H5N3.4C7H6N2.C7H9N.6C6H5N3.4C6H4N2O.4C6H4N2S.2C5H4N4.C5H3N3O.2C5H3N3S/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-7-6-9-5-3-8(7)10-4-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-6-10-9-5-7(8)3-1;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-7(3-1)5-6-9-10-8;1-2-6-9-7-3-5-8(9)4-1;2*1-2-4-8-6-9-5-7(8)3-1;1-2-6-7(9-3-1)4-8-5-10-6;1-3-7-4-2-6-9(7)8-5-1;1-2-6-9-7(3-1)4-5-8-9;1-2-5-9-6-4-8-7(9)3-1;1-2-4-9-6-8-5-7(9)3-1;1-3-7-4-2-6-8(7)5-1;1-3-9-4-2-8-6(9)5-7-1;1-2-7-3-6-5(1)8-4-9-6;1-2-7-5-9-4-3-8-6(1)9;1-2-5-4-8-9-6(5)7-3-1;1-2-4-9-5-7-8-6(9)3-1;1-2-4-9-6(3-1)7-5-8-9;1-2-7-3-5-6(1)9-4-8-5;1-2-7-3-6-5(1)8-4-9-6;1-2-5-6(7-3-1)8-4-9-5;1-2-5-6(7-3-1)9-4-8-5;1-2-7-3-5-6(1)9-4-8-5;1-2-7-3-6-5(1)8-4-9-6;1-2-5-6(7-3-1)8-4-9-5;1-2-5-6(7-3-1)9-4-8-5;1-4-5(8-2-6-1)9-3-7-4;1-4-5(2-9-8-1)7-3-6-4;2*1-4-5(7-2-6-1)8-3-9-4;1-4-5(7-2-6-1)9-3-8-4/h2*1-7H;5*1-6H;1-7H;1-6,9H;1-6H;1-5H;4*1-6H;1,3,5H,2,4,6H2;1-5H;1-4H,(H,8,9);1-5H;1-4H,(H,7,8,9);2*1-5H;8*1-4H;1-3H,(H,6,7,8,9);1-3H,(H,6,7);3*1-3H
InChIKeyHDMRFSZQIFKWSO-UHFFFAOYSA-N
XLogP47.41
TPSA988.45 Ų
H-Bond Donors5
H-Bond Acceptors84
Rotatable Bonds
Heavy Atoms322
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004364.01
LogP ≤ 547.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1084

Analyze 2-benzothiophene;cinnoline;2,3-dihydro-1H-pyrrolizine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;3H-imidazo[4,5-c]pyridine;imidazo[1,2-c]pyrimidine;1H-imidazo[4,5-d]pyridazine;indolizine;2H-isoindole;isoquinoline;1,6-naphthyridine;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;[1,3]oxazolo[4,5-d]pyrimidine;phthalazine;7H-purine;pyrazolo[1,5-a]pyridine;1H-pyrazolo[5,4-b]pyridine;pyrido[3,2-d]pyrimidine;pyrrolo[1,2-b]pyridazine;quinazoline;quinoline;quinoxaline;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;[1,3]thiazolo[4,5-d]pyrimidine;[1,3]thiazolo[5,4-d]pyrimidine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-benzothiophene;cinnoline;2,3-dihydro-1H-pyrrolizine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;3H-imidazo[4,5-c]pyridine;imidazo[1,2-c]pyrimidine;1H-imidazo[4,5-d]pyridazine;indolizine;2H-isoindole;isoquinoline;1,6-naphthyridine;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;[1,3]oxazolo[4,5-d]pyrimidine;phthalazine;7H-purine;pyrazolo[1,5-a]pyridine;1H-pyrazolo[5,4-b]pyridine;pyrido[3,2-d]pyrimidine;pyrrolo[1,2-b]pyridazine;quinazoline;quinoline;quinoxaline;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;[1,3]thiazolo[4,5-d]pyrimidine;[1,3]thiazolo[5,4-d]pyrimidine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 2-benzothiophene;cinnoline;2,3-dihydro-1H-pyrrolizine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;3H-imidazo[4,5-c]pyridine;imidazo[1,2-c]pyrimidine;1H-imidazo[4,5-d]pyridazine;indolizine;2H-isoindole;isoquinoline;1,6-naphthyridine;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;[1,3]oxazolo[4,5-d]pyrimidine;phthalazine;7H-purine;pyrazolo[1,5-a]pyridine;1H-pyrazolo[5,4-b]pyridine;pyrido[3,2-d]pyrimidine;pyrrolo[1,2-b]pyridazine;quinazoline;quinoline;quinoxaline;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;[1,3]thiazolo[4,5-d]pyrimidine;[1,3]thiazolo[5,4-d]pyrimidine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine (CID 158446904) is 2-benzothiophene;cinnoline;2,3-dihydro-1H-pyrrolizine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;3H-imidazo[4,5-c]pyridine;imidazo[1,2-c]pyrimidine;1H-imidazo[4,5-d]pyridazine;indolizine;2H-isoindole;isoquinoline;1,6-naphthyridine;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;[1,3]oxazolo[4,5-d]pyrimidine;phthalazine;7H-purine;pyrazolo[1,5-a]pyridine;1H-pyrazolo[5,4-b]pyridine;pyrido[3,2-d]pyrimidine;pyrrolo[1,2-b]pyridazine;quinazoline;quinoline;quinoxaline;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;[1,3]thiazolo[4,5-d]pyrimidine;[1,3]thiazolo[5,4-d]pyrimidine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 2-benzothiophene;cinnoline;2,3-dihydro-1H-pyrrolizine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;3H-imidazo[4,5-c]pyridine;imidazo[1,2-c]pyrimidine;1H-imidazo[4,5-d]pyridazine;indolizine;2H-isoindole;isoquinoline;1,6-naphthyridine;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;[1,3]oxazolo[4,5-d]pyrimidine;phthalazine;7H-purine;pyrazolo[1,5-a]pyridine;1H-pyrazolo[5,4-b]pyridine;pyrido[3,2-d]pyrimidine;pyrrolo[1,2-b]pyridazine;quinazoline;quinoline;quinoxaline;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;[1,3]thiazolo[4,5-d]pyrimidine;[1,3]thiazolo[5,4-d]pyrimidine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 2-benzothiophene;cinnoline;2,3-dihydro-1H-pyrrolizine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;3H-imidazo[4,5-c]pyridine;imidazo[1,2-c]pyrimidine;1H-imidazo[4,5-d]pyridazine;indolizine;2H-isoindole;isoquinoline;1,6-naphthyridine;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;[1,3]oxazolo[4,5-d]pyrimidine;phthalazine;7H-purine;pyrazolo[1,5-a]pyridine;1H-pyrazolo[5,4-b]pyridine;pyrido[3,2-d]pyrimidine;pyrrolo[1,2-b]pyridazine;quinazoline;quinoline;quinoxaline;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;[1,3]thiazolo[4,5-d]pyrimidine;[1,3]thiazolo[5,4-d]pyrimidine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine is c1cc2n(c1)CCC2.c1cc2nc[nH]c2cn1.c1cc2nccn2cn1.c1cc2ncoc2cn1.c1cc2ncsc2cn1.c1cc2ocnc2cn1.c1cc2scnc2cn1.c1ccc2c[nH]cc2c1.c1ccc2cnccc2c1.c1ccc2cnncc2c1.c1ccc2cscc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1ccc2nnccc2c1.c1ccn2cccc2c1.c1ccn2ccnc2c1.c1ccn2cncc2c1.c1ccn2cnnc2c1.c1ccn2nccc2c1.c1ccn2ncnc2c1.c1cn2ccnc2cn1.c1cnc2[nH]ncc2c1.c1cnc2ccncc2c1.c1cnc2cncnc2c1.c1cnc2ncoc2c1.c1cnc2ncsc2c1.c1cnc2ocnc2c1.c1cnc2scnc2c1.c1cnn2cccc2c1.c1nc2cnncc2[nH]1.c1ncc2[nH]cnc2n1.c1ncc2ncsc2n1.c1ncc2ocnc2n1.c1ncc2scnc2n1.
What is the InChIKey of 2-benzothiophene;cinnoline;2,3-dihydro-1H-pyrrolizine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;3H-imidazo[4,5-c]pyridine;imidazo[1,2-c]pyrimidine;1H-imidazo[4,5-d]pyridazine;indolizine;2H-isoindole;isoquinoline;1,6-naphthyridine;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;[1,3]oxazolo[4,5-d]pyrimidine;phthalazine;7H-purine;pyrazolo[1,5-a]pyridine;1H-pyrazolo[5,4-b]pyridine;pyrido[3,2-d]pyrimidine;pyrrolo[1,2-b]pyridazine;quinazoline;quinoline;quinoxaline;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;[1,3]thiazolo[4,5-d]pyrimidine;[1,3]thiazolo[5,4-d]pyrimidine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is HDMRFSZQIFKWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H7N.5C8H6N2.2C8H7N.C8H6S.C7H5N3.4C7H6N2.C7H9N.6C6H5N3.4C6H4N2O.4C6H4N2S.2C5H4N4.C5H3N3O.2C5H3N3S/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-7-6-9-5-3-8(7)10-4-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-6-10-9-5-7(8)3-1;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-7(3-1)5-6-9-10-8;1-2-6-9-7-3-5-8(9)4-1;2*1-2-4-8-6-9-5-7(8)3-1;1-2-6-7(9-3-1)4-8-5-10-6;1-3-7-4-2-6-9(7)8-5-1;1-2-6-9-7(3-1)4-5-8-9;1-2-5-9-6-4-8-7(9)3-1;1-2-4-9-6-8-5-7(9)3-1;1-3-7-4-2-6-8(7)5-1;1-3-9-4-2-8-6(9)5-7-1;1-2-7-3-6-5(1)8-4-9-6;1-2-7-5-9-4-3-8-6(1)9;1-2-5-4-8-9-6(5)7-3-1;1-2-4-9-5-7-8-6(9)3-1;1-2-4-9-6(3-1)7-5-8-9;1-2-7-3-5-6(1)9-4-8-5;1-2-7-3-6-5(1)8-4-9-6;1-2-5-6(7-3-1)8-4-9-5;1-2-5-6(7-3-1)9-4-8-5;1-2-7-3-5-6(1)9-4-8-5;1-2-7-3-6-5(1)8-4-9-6;1-2-5-6(7-3-1)8-4-9-5;1-2-5-6(7-3-1)9-4-8-5;1-4-5(8-2-6-1)9-3-7-4;1-4-5(2-9-8-1)7-3-6-4;2*1-4-5(7-2-6-1)8-3-9-4;1-4-5(7-2-6-1)9-3-8-4/h2*1-7H;5*1-6H;1-7H;1-6,9H;1-6H;1-5H;4*1-6H;1,3,5H,2,4,6H2;1-5H;1-4H,(H,8,9);1-5H;1-4H,(H,7,8,9);2*1-5H;8*1-4H;1-3H,(H,6,7,8,9);1-3H,(H,6,7);3*1-3H.
What are the key properties of 2-benzothiophene;cinnoline;2,3-dihydro-1H-pyrrolizine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;3H-imidazo[4,5-c]pyridine;imidazo[1,2-c]pyrimidine;1H-imidazo[4,5-d]pyridazine;indolizine;2H-isoindole;isoquinoline;1,6-naphthyridine;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;[1,3]oxazolo[4,5-d]pyrimidine;phthalazine;7H-purine;pyrazolo[1,5-a]pyridine;1H-pyrazolo[5,4-b]pyridine;pyrido[3,2-d]pyrimidine;pyrrolo[1,2-b]pyridazine;quinazoline;quinoline;quinoxaline;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;[1,3]thiazolo[4,5-d]pyrimidine;[1,3]thiazolo[5,4-d]pyrimidine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine?
2-benzothiophene;cinnoline;2,3-dihydro-1H-pyrrolizine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;3H-imidazo[4,5-c]pyridine;imidazo[1,2-c]pyrimidine;1H-imidazo[4,5-d]pyridazine;indolizine;2H-isoindole;isoquinoline;1,6-naphthyridine;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;[1,3]oxazolo[4,5-d]pyrimidine;phthalazine;7H-purine;pyrazolo[1,5-a]pyridine;1H-pyrazolo[5,4-b]pyridine;pyrido[3,2-d]pyrimidine;pyrrolo[1,2-b]pyridazine;quinazoline;quinoline;quinoxaline;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;[1,3]thiazolo[4,5-d]pyrimidine;[1,3]thiazolo[5,4-d]pyrimidine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 4364.01 g/mol, XLogP of 47.41, 0 rotatable bonds, 5 hydrogen bond donors, and 84 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzothiophene;cinnoline;2,3-dihydro-1H-pyrrolizine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;3H-imidazo[4,5-c]pyridine;imidazo[1,2-c]pyrimidine;1H-imidazo[4,5-d]pyridazine;indolizine;2H-isoindole;isoquinoline;1,6-naphthyridine;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;[1,3]oxazolo[4,5-d]pyrimidine;phthalazine;7H-purine;pyrazolo[1,5-a]pyridine;1H-pyrazolo[5,4-b]pyridine;pyrido[3,2-d]pyrimidine;pyrrolo[1,2-b]pyridazine;quinazoline;quinoline;quinoxaline;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;[1,3]thiazolo[4,5-d]pyrimidine;[1,3]thiazolo[5,4-d]pyrimidine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 158446904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).