1,3-benzothiazole;1,3-benzoxazole;ethane;imidazo[1,2-a]pyrazine;bis(imidazo[1,2-a]pyridine);imidazo[1,2-a]pyrimidine;isoquinoline;1-methylbenzimidazole;1-methylimidazo[4,5-b]pyridine;2-methylindazole;bis(1-methylindole);2-methylisoindole;2-methylpyrazolo[3,4-b]pyridine;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[3,2-b]pyridine;naphthalene;1,5-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;[1,3]oxazolo[4,5-c]pyridine;1-propan-2-ylbenzimidazole;pyrazolo[1,5-a]pyridine;pyrido[2,3-c]pyridazine;pyrido[3,2-d]pyrimidine;quinazoline;quinoline;quinoxaline;[1,3]thiazolo[4,5-b]pyridine;[1,2,4]triazolo[1,5-a]pyrazine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[1,5-a]pyrimidine

C313H405N67O2S2 — CID 163949208

IUPAC1,3-benzothiazole;1,3-benzoxazole;ethane;imidazo[1,2-a]pyrazine;bis(imidazo[1,2-a]pyridine);imidazo[1,2-a]pyrimidine;isoquinoline;1-methylbenzimidazole;1-methylimidazo[4,5-b]pyridine;2-methylindazole;bis(1-methylindole);2-methylisoindole;2-methylpyrazolo[3,4-b]pyridine;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[3,2-b]pyridine;naphthalene;1,5-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;[1,3]oxazolo[4,5-c]pyridine;1-propan-2-ylbenzimidazole;pyrazolo[1,5-a]pyridine;pyrido[2,3-c]pyridazine;pyrido[3,2-d]pyrimidine;quinazoline;quinoline;quinoxaline;[1,3]thiazolo[4,5-b]pyridine;[1,2,4]triazolo[1,5-a]pyrazine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)n1cnc2ccccc21.Cn1cc2ccccc2c1.Cn1cc2ccccc2n1.Cn1cc2cccnc2n1.Cn1ccc2ccccc21.Cn1ccc2ccccc21.Cn1ccc2cccnc21.Cn1ccc2ncccc21.Cn1cnc2ccccc21.Cn1cnc2ncccc21.c1cc2ocnc2cn1.c1ccc2ccccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1ccc2ocnc2c1.c1ccc2scnc2c1.c1ccn2ccnc2c1.c1ccn2ccnc2c1.c1ccn2nccc2c1.c1ccn2ncnc2c1.c1cn2ccnc2cn1.c1cn2ncnc2cn1.c1cnc2cccnc2c1.c1cnc2cnccc2c1.c1cnc2cncnc2c1.c1cnc2ncccc2c1.c1cnc2nccn2c1.c1cnc2ncnn2c1.c1cnc2ncsc2c1.c1cnc2nnccc2c1
InChIInChI=1S/C10H12N2.C10H8.3C9H9N.3C9H7N.4C8H8N2.5C8H6N2.2C7H7N3.2C7H5N3.3C7H6N2.C7H5NO.C7H5NS.3C6H5N3.C6H4N2O.C6H4N2S.2C5H4N4.32C2H6/c1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-2-6-10-8-4-3-7-9(10)5-1;1-10-6-8-4-2-3-5-9(8)7-10;2*1-10-7-6-8-4-2-3-5-9(8)10;2*1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-10-6-4-7-8(10)3-2-5-9-7;1-10-6-4-7-3-2-5-9-8(7)10;1-10-6-9-7-4-2-3-5-8(7)10;1-10-6-7-4-2-3-5-8(7)9-10;1-3-7-8(9-5-1)4-2-6-10-7;1-3-7-4-2-6-10-8(7)9-5-1;1-2-7-3-5-9-6-8(7)10-4-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-7(3-1)9-5-6-10-8;1-10-5-9-7-6(10)3-2-4-8-7;1-10-5-6-3-2-4-8-7(6)9-10;1-2-6-3-5-9-10-7(6)8-4-1;1-2-6-7(9-3-1)4-8-5-10-6;1-2-6-9-7(3-1)4-5-8-9;2*1-2-5-9-6-4-8-7(9)3-1;2*1-2-4-7-6(3-1)8-5-9-7;1-3-9-4-2-8-6(9)5-7-1;1-2-7-6-8-3-5-9(6)4-1;1-2-4-9-6(3-1)7-5-8-9;1-2-7-3-5-6(1)9-4-8-5;1-2-5-6(7-3-1)8-4-9-5;1-2-9-5(3-6-1)7-4-8-9;1-2-6-5-7-4-8-9(5)3-1;32*1-2/h3-8H,1-2H3;1-8H;3*2-7H,1H3;3*1-7H;4*2-6H,1H3;5*1-6H;2*2-5H,1H3;2*1-5H;3*1-6H;5*1-5H;4*1-4H;32*1-2H3
InChIKeyRXVLVBUKSJWCLY-UHFFFAOYSA-N
MW5202.28 g/mol
LogP83.44
Rot. Bonds1

About 1,3-benzothiazole;1,3-benzoxazole;ethane;imidazo[1,2-a]pyrazine;bis(imidazo[1,2-a]pyridine);imidazo[1,2-a]pyrimidine;isoquinoline;1-methylbenzimidazole;1-methylimidazo[4,5-b]pyridine;2-methylindazole;bis(1-methylindole);2-methylisoindole;2-methylpyrazolo[3,4-b]pyridine;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[3,2-b]pyridine;naphthalene;1,5-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;[1,3]oxazolo[4,5-c]pyridine;1-propan-2-ylbenzimidazole;pyrazolo[1,5-a]pyridine;pyrido[2,3-c]pyridazine;pyrido[3,2-d]pyrimidine;quinazoline;quinoline;quinoxaline;[1,3]thiazolo[4,5-b]pyridine;[1,2,4]triazolo[1,5-a]pyrazine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[1,5-a]pyrimidine

1,3-benzothiazole;1,3-benzoxazole;ethane;imidazo[1,2-a]pyrazine;bis(imidazo[1,2-a]pyridine);imidazo[1,2-a]pyrimidine;isoquinoline;1-methylbenzimidazole;1-methylimidazo[4,5-b]pyridine;2-methylindazole;bis(1-methylindole);2-methylisoindole;2-methylpyrazolo[3,4-b]pyridine;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[3,2-b]pyridine;naphthalene;1,5-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;[1,3]oxazolo[4,5-c]pyridine;1-propan-2-ylbenzimidazole;pyrazolo[1,5-a]pyridine;pyrido[2,3-c]pyridazine;pyrido[3,2-d]pyrimidine;quinazoline;quinoline;quinoxaline;[1,3]thiazolo[4,5-b]pyridine;[1,2,4]triazolo[1,5-a]pyrazine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 163949208) has the molecular formula C313H405N67O2S2 and a molecular weight of 5202.28 g/mol. Its IUPAC name is 1,3-benzothiazole;1,3-benzoxazole;ethane;imidazo[1,2-a]pyrazine;bis(imidazo[1,2-a]pyridine);imidazo[1,2-a]pyrimidine;isoquinoline;1-methylbenzimidazole;1-methylimidazo[4,5-b]pyridine;2-methylindazole;bis(1-methylindole);2-methylisoindole;2-methylpyrazolo[3,4-b]pyridine;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[3,2-b]pyridine;naphthalene;1,5-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;[1,3]oxazolo[4,5-c]pyridine;1-propan-2-ylbenzimidazole;pyrazolo[1,5-a]pyridine;pyrido[2,3-c]pyridazine;pyrido[3,2-d]pyrimidine;quinazoline;quinoline;quinoxaline;[1,3]thiazolo[4,5-b]pyridine;[1,2,4]triazolo[1,5-a]pyrazine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name1,3-benzothiazole;1,3-benzoxazole;ethane;imidazo[1,2-a]pyrazine;bis(imidazo[1,2-a]pyridine);imidazo[1,2-a]pyrimidine;isoquinoline;1-methylbenzimidazole;1-methylimidazo[4,5-b]pyridine;2-methylindazole;bis(1-methylindole);2-methylisoindole;2-methylpyrazolo[3,4-b]pyridine;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[3,2-b]pyridine;naphthalene;1,5-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;[1,3]oxazolo[4,5-c]pyridine;1-propan-2-ylbenzimidazole;pyrazolo[1,5-a]pyridine;pyrido[2,3-c]pyridazine;pyrido[3,2-d]pyrimidine;quinazoline;quinoline;quinoxaline;[1,3]thiazolo[4,5-b]pyridine;[1,2,4]triazolo[1,5-a]pyrazine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID163949208
Molecular FormulaC313H405N67O2S2
Molecular Weight5202.28 g/mol
Exact Mass5198.31
IUPAC Name1,3-benzothiazole;1,3-benzoxazole;ethane;imidazo[1,2-a]pyrazine;bis(imidazo[1,2-a]pyridine);imidazo[1,2-a]pyrimidine;isoquinoline;1-methylbenzimidazole;1-methylimidazo[4,5-b]pyridine;2-methylindazole;bis(1-methylindole);2-methylisoindole;2-methylpyrazolo[3,4-b]pyridine;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[3,2-b]pyridine;naphthalene;1,5-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;[1,3]oxazolo[4,5-c]pyridine;1-propan-2-ylbenzimidazole;pyrazolo[1,5-a]pyridine;pyrido[2,3-c]pyridazine;pyrido[3,2-d]pyrimidine;quinazoline;quinoline;quinoxaline;[1,3]thiazolo[4,5-b]pyridine;[1,2,4]triazolo[1,5-a]pyrazine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)n1cnc2ccccc21.Cn1cc2ccccc2c1.Cn1cc2ccccc2n1.Cn1cc2cccnc2n1.Cn1ccc2ccccc21.Cn1ccc2ccccc21.Cn1ccc2cccnc21.Cn1ccc2ncccc21.Cn1cnc2ccccc21.Cn1cnc2ncccc21.c1cc2ocnc2cn1.c1ccc2ccccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1ccc2ocnc2c1.c1ccc2scnc2c1.c1ccn2ccnc2c1.c1ccn2ccnc2c1.c1ccn2nccc2c1.c1ccn2ncnc2c1.c1cn2ccnc2cn1.c1cn2ncnc2cn1.c1cnc2cccnc2c1.c1cnc2cnccc2c1.c1cnc2cncnc2c1.c1cnc2ncccc2c1.c1cnc2nccn2c1.c1cnc2ncnn2c1.c1cnc2ncsc2c1.c1cnc2nnccc2c1
InChIInChI=1S/C10H12N2.C10H8.3C9H9N.3C9H7N.4C8H8N2.5C8H6N2.2C7H7N3.2C7H5N3.3C7H6N2.C7H5NO.C7H5NS.3C6H5N3.C6H4N2O.C6H4N2S.2C5H4N4.32C2H6/c1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-2-6-10-8-4-3-7-9(10)5-1;1-10-6-8-4-2-3-5-9(8)7-10;2*1-10-7-6-8-4-2-3-5-9(8)10;2*1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-10-6-4-7-8(10)3-2-5-9-7;1-10-6-4-7-3-2-5-9-8(7)10;1-10-6-9-7-4-2-3-5-8(7)10;1-10-6-7-4-2-3-5-8(7)9-10;1-3-7-8(9-5-1)4-2-6-10-7;1-3-7-4-2-6-10-8(7)9-5-1;1-2-7-3-5-9-6-8(7)10-4-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-7(3-1)9-5-6-10-8;1-10-5-9-7-6(10)3-2-4-8-7;1-10-5-6-3-2-4-8-7(6)9-10;1-2-6-3-5-9-10-7(6)8-4-1;1-2-6-7(9-3-1)4-8-5-10-6;1-2-6-9-7(3-1)4-5-8-9;2*1-2-5-9-6-4-8-7(9)3-1;2*1-2-4-7-6(3-1)8-5-9-7;1-3-9-4-2-8-6(9)5-7-1;1-2-7-6-8-3-5-9(6)4-1;1-2-4-9-6(3-1)7-5-8-9;1-2-7-3-5-6(1)9-4-8-5;1-2-5-6(7-3-1)8-4-9-5;1-2-9-5(3-6-1)7-4-8-9;1-2-6-5-7-4-8-9(5)3-1;32*1-2/h3-8H,1-2H3;1-8H;3*2-7H,1H3;3*1-7H;4*2-6H,1H3;5*1-6H;2*2-5H,1H3;2*1-5H;3*1-6H;5*1-5H;4*1-4H;32*1-2H3
InChIKeyRXVLVBUKSJWCLY-UHFFFAOYSA-N
XLogP83.44
TPSA742.47 Ų
H-Bond Donors
H-Bond Acceptors71
Rotatable Bonds1
Heavy Atoms384
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005202.28
LogP ≤ 583.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1071

Analyze 1,3-benzothiazole;1,3-benzoxazole;ethane;imidazo[1,2-a]pyrazine;bis(imidazo[1,2-a]pyridine);imidazo[1,2-a]pyrimidine;isoquinoline;1-methylbenzimidazole;1-methylimidazo[4,5-b]pyridine;2-methylindazole;bis(1-methylindole);2-methylisoindole;2-methylpyrazolo[3,4-b]pyridine;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[3,2-b]pyridine;naphthalene;1,5-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;[1,3]oxazolo[4,5-c]pyridine;1-propan-2-ylbenzimidazole;pyrazolo[1,5-a]pyridine;pyrido[2,3-c]pyridazine;pyrido[3,2-d]pyrimidine;quinazoline;quinoline;quinoxaline;[1,3]thiazolo[4,5-b]pyridine;[1,2,4]triazolo[1,5-a]pyrazine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[1,5-a]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazole;1,3-benzoxazole;ethane;imidazo[1,2-a]pyrazine;bis(imidazo[1,2-a]pyridine);imidazo[1,2-a]pyrimidine;isoquinoline;1-methylbenzimidazole;1-methylimidazo[4,5-b]pyridine;2-methylindazole;bis(1-methylindole);2-methylisoindole;2-methylpyrazolo[3,4-b]pyridine;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[3,2-b]pyridine;naphthalene;1,5-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;[1,3]oxazolo[4,5-c]pyridine;1-propan-2-ylbenzimidazole;pyrazolo[1,5-a]pyridine;pyrido[2,3-c]pyridazine;pyrido[3,2-d]pyrimidine;quinazoline;quinoline;quinoxaline;[1,3]thiazolo[4,5-b]pyridine;[1,2,4]triazolo[1,5-a]pyrazine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 1,3-benzothiazole;1,3-benzoxazole;ethane;imidazo[1,2-a]pyrazine;bis(imidazo[1,2-a]pyridine);imidazo[1,2-a]pyrimidine;isoquinoline;1-methylbenzimidazole;1-methylimidazo[4,5-b]pyridine;2-methylindazole;bis(1-methylindole);2-methylisoindole;2-methylpyrazolo[3,4-b]pyridine;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[3,2-b]pyridine;naphthalene;1,5-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;[1,3]oxazolo[4,5-c]pyridine;1-propan-2-ylbenzimidazole;pyrazolo[1,5-a]pyridine;pyrido[2,3-c]pyridazine;pyrido[3,2-d]pyrimidine;quinazoline;quinoline;quinoxaline;[1,3]thiazolo[4,5-b]pyridine;[1,2,4]triazolo[1,5-a]pyrazine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[1,5-a]pyrimidine (CID 163949208) is 1,3-benzothiazole;1,3-benzoxazole;ethane;imidazo[1,2-a]pyrazine;bis(imidazo[1,2-a]pyridine);imidazo[1,2-a]pyrimidine;isoquinoline;1-methylbenzimidazole;1-methylimidazo[4,5-b]pyridine;2-methylindazole;bis(1-methylindole);2-methylisoindole;2-methylpyrazolo[3,4-b]pyridine;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[3,2-b]pyridine;naphthalene;1,5-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;[1,3]oxazolo[4,5-c]pyridine;1-propan-2-ylbenzimidazole;pyrazolo[1,5-a]pyridine;pyrido[2,3-c]pyridazine;pyrido[3,2-d]pyrimidine;quinazoline;quinoline;quinoxaline;[1,3]thiazolo[4,5-b]pyridine;[1,2,4]triazolo[1,5-a]pyrazine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 1,3-benzothiazole;1,3-benzoxazole;ethane;imidazo[1,2-a]pyrazine;bis(imidazo[1,2-a]pyridine);imidazo[1,2-a]pyrimidine;isoquinoline;1-methylbenzimidazole;1-methylimidazo[4,5-b]pyridine;2-methylindazole;bis(1-methylindole);2-methylisoindole;2-methylpyrazolo[3,4-b]pyridine;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[3,2-b]pyridine;naphthalene;1,5-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;[1,3]oxazolo[4,5-c]pyridine;1-propan-2-ylbenzimidazole;pyrazolo[1,5-a]pyridine;pyrido[2,3-c]pyridazine;pyrido[3,2-d]pyrimidine;quinazoline;quinoline;quinoxaline;[1,3]thiazolo[4,5-b]pyridine;[1,2,4]triazolo[1,5-a]pyrazine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 1,3-benzothiazole;1,3-benzoxazole;ethane;imidazo[1,2-a]pyrazine;bis(imidazo[1,2-a]pyridine);imidazo[1,2-a]pyrimidine;isoquinoline;1-methylbenzimidazole;1-methylimidazo[4,5-b]pyridine;2-methylindazole;bis(1-methylindole);2-methylisoindole;2-methylpyrazolo[3,4-b]pyridine;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[3,2-b]pyridine;naphthalene;1,5-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;[1,3]oxazolo[4,5-c]pyridine;1-propan-2-ylbenzimidazole;pyrazolo[1,5-a]pyridine;pyrido[2,3-c]pyridazine;pyrido[3,2-d]pyrimidine;quinazoline;quinoline;quinoxaline;[1,3]thiazolo[4,5-b]pyridine;[1,2,4]triazolo[1,5-a]pyrazine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[1,5-a]pyrimidine is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)n1cnc2ccccc21.Cn1cc2ccccc2c1.Cn1cc2ccccc2n1.Cn1cc2cccnc2n1.Cn1ccc2ccccc21.Cn1ccc2ccccc21.Cn1ccc2cccnc21.Cn1ccc2ncccc21.Cn1cnc2ccccc21.Cn1cnc2ncccc21.c1cc2ocnc2cn1.c1ccc2ccccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1ccc2ocnc2c1.c1ccc2scnc2c1.c1ccn2ccnc2c1.c1ccn2ccnc2c1.c1ccn2nccc2c1.c1ccn2ncnc2c1.c1cn2ccnc2cn1.c1cn2ncnc2cn1.c1cnc2cccnc2c1.c1cnc2cnccc2c1.c1cnc2cncnc2c1.c1cnc2ncccc2c1.c1cnc2nccn2c1.c1cnc2ncnn2c1.c1cnc2ncsc2c1.c1cnc2nnccc2c1.
What is the InChIKey of 1,3-benzothiazole;1,3-benzoxazole;ethane;imidazo[1,2-a]pyrazine;bis(imidazo[1,2-a]pyridine);imidazo[1,2-a]pyrimidine;isoquinoline;1-methylbenzimidazole;1-methylimidazo[4,5-b]pyridine;2-methylindazole;bis(1-methylindole);2-methylisoindole;2-methylpyrazolo[3,4-b]pyridine;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[3,2-b]pyridine;naphthalene;1,5-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;[1,3]oxazolo[4,5-c]pyridine;1-propan-2-ylbenzimidazole;pyrazolo[1,5-a]pyridine;pyrido[2,3-c]pyridazine;pyrido[3,2-d]pyrimidine;quinazoline;quinoline;quinoxaline;[1,3]thiazolo[4,5-b]pyridine;[1,2,4]triazolo[1,5-a]pyrazine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is RXVLVBUKSJWCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2.C10H8.3C9H9N.3C9H7N.4C8H8N2.5C8H6N2.2C7H7N3.2C7H5N3.3C7H6N2.C7H5NO.C7H5NS.3C6H5N3.C6H4N2O.C6H4N2S.2C5H4N4.32C2H6/c1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-2-6-10-8-4-3-7-9(10)5-1;1-10-6-8-4-2-3-5-9(8)7-10;2*1-10-7-6-8-4-2-3-5-9(8)10;2*1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-10-6-4-7-8(10)3-2-5-9-7;1-10-6-4-7-3-2-5-9-8(7)10;1-10-6-9-7-4-2-3-5-8(7)10;1-10-6-7-4-2-3-5-8(7)9-10;1-3-7-8(9-5-1)4-2-6-10-7;1-3-7-4-2-6-10-8(7)9-5-1;1-2-7-3-5-9-6-8(7)10-4-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-7(3-1)9-5-6-10-8;1-10-5-9-7-6(10)3-2-4-8-7;1-10-5-6-3-2-4-8-7(6)9-10;1-2-6-3-5-9-10-7(6)8-4-1;1-2-6-7(9-3-1)4-8-5-10-6;1-2-6-9-7(3-1)4-5-8-9;2*1-2-5-9-6-4-8-7(9)3-1;2*1-2-4-7-6(3-1)8-5-9-7;1-3-9-4-2-8-6(9)5-7-1;1-2-7-6-8-3-5-9(6)4-1;1-2-4-9-6(3-1)7-5-8-9;1-2-7-3-5-6(1)9-4-8-5;1-2-5-6(7-3-1)8-4-9-5;1-2-9-5(3-6-1)7-4-8-9;1-2-6-5-7-4-8-9(5)3-1;32*1-2/h3-8H,1-2H3;1-8H;3*2-7H,1H3;3*1-7H;4*2-6H,1H3;5*1-6H;2*2-5H,1H3;2*1-5H;3*1-6H;5*1-5H;4*1-4H;32*1-2H3.
What are the key properties of 1,3-benzothiazole;1,3-benzoxazole;ethane;imidazo[1,2-a]pyrazine;bis(imidazo[1,2-a]pyridine);imidazo[1,2-a]pyrimidine;isoquinoline;1-methylbenzimidazole;1-methylimidazo[4,5-b]pyridine;2-methylindazole;bis(1-methylindole);2-methylisoindole;2-methylpyrazolo[3,4-b]pyridine;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[3,2-b]pyridine;naphthalene;1,5-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;[1,3]oxazolo[4,5-c]pyridine;1-propan-2-ylbenzimidazole;pyrazolo[1,5-a]pyridine;pyrido[2,3-c]pyridazine;pyrido[3,2-d]pyrimidine;quinazoline;quinoline;quinoxaline;[1,3]thiazolo[4,5-b]pyridine;[1,2,4]triazolo[1,5-a]pyrazine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[1,5-a]pyrimidine?
1,3-benzothiazole;1,3-benzoxazole;ethane;imidazo[1,2-a]pyrazine;bis(imidazo[1,2-a]pyridine);imidazo[1,2-a]pyrimidine;isoquinoline;1-methylbenzimidazole;1-methylimidazo[4,5-b]pyridine;2-methylindazole;bis(1-methylindole);2-methylisoindole;2-methylpyrazolo[3,4-b]pyridine;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[3,2-b]pyridine;naphthalene;1,5-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;[1,3]oxazolo[4,5-c]pyridine;1-propan-2-ylbenzimidazole;pyrazolo[1,5-a]pyridine;pyrido[2,3-c]pyridazine;pyrido[3,2-d]pyrimidine;quinazoline;quinoline;quinoxaline;[1,3]thiazolo[4,5-b]pyridine;[1,2,4]triazolo[1,5-a]pyrazine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 5202.28 g/mol, XLogP of 83.44, 1 rotatable bonds, 0 hydrogen bond donors, and 71 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazole;1,3-benzoxazole;ethane;imidazo[1,2-a]pyrazine;bis(imidazo[1,2-a]pyridine);imidazo[1,2-a]pyrimidine;isoquinoline;1-methylbenzimidazole;1-methylimidazo[4,5-b]pyridine;2-methylindazole;bis(1-methylindole);2-methylisoindole;2-methylpyrazolo[3,4-b]pyridine;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[3,2-b]pyridine;naphthalene;1,5-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;[1,3]oxazolo[4,5-c]pyridine;1-propan-2-ylbenzimidazole;pyrazolo[1,5-a]pyridine;pyrido[2,3-c]pyridazine;pyrido[3,2-d]pyrimidine;quinazoline;quinoline;quinoxaline;[1,3]thiazolo[4,5-b]pyridine;[1,2,4]triazolo[1,5-a]pyrazine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 163949208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).