4,6a-dihydro-3aH-cyclopenta[b]thiophene;1,2-benzoxazole;1,3-benzoxazole;imidazo[1,2-a]pyrazine;imidazo[1,5-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,5-b]pyridazine;bis(3H-imidazo[4,5-c]pyridine);imidazo[1,2-c]pyrimidine;imidazo[1,5-c]pyrimidine;1H-indazole;1H-indole;3H-indole;methane;[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;pyrazolo[1,5-a]pyrazine;pyrazolo[1,5-a]pyridine;pyrazolo[1,5-a]pyrimidine;1H-pyrazolo[5,4-b]pyridine;pyrazolo[1,5-c]pyrimidine;1H-pyrrolo[2,3-b]pyridine;bis(1H-pyrrolo[3,2-b]pyridine);3H-pyrrolo[2,3-b]pyridine;bis(3H-pyrrolo[3,2-b]pyridine);bis(1H-pyrrolo[2,3-c]pyridine);bis(1H-pyrrolo[3,2-c]pyridine);3H-pyrrolo[2,3-c]pyridine;3H-pyrrolo[3,2-c]pyridine;thieno[2,3-b]pyridine;thieno[2,3-c]pyridine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine

C297H309N91O6S3 — CID 158290910

IUPAC4,6a-dihydro-3aH-cyclopenta[b]thiophene;1,2-benzoxazole;1,3-benzoxazole;imidazo[1,2-a]pyrazine;imidazo[1,5-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,5-b]pyridazine;bis(3H-imidazo[4,5-c]pyridine);imidazo[1,2-c]pyrimidine;imidazo[1,5-c]pyrimidine;1H-indazole;1H-indole;3H-indole;methane;[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;pyrazolo[1,5-a]pyrazine;pyrazolo[1,5-a]pyridine;pyrazolo[1,5-a]pyrimidine;1H-pyrazolo[5,4-b]pyridine;pyrazolo[1,5-c]pyrimidine;1H-pyrrolo[2,3-b]pyridine;bis(1H-pyrrolo[3,2-b]pyridine);3H-pyrrolo[2,3-b]pyridine;bis(3H-pyrrolo[3,2-b]pyridine);bis(1H-pyrrolo[2,3-c]pyridine);bis(1H-pyrrolo[3,2-c]pyridine);3H-pyrrolo[2,3-c]pyridine;3H-pyrrolo[3,2-c]pyridine;thieno[2,3-b]pyridine;thieno[2,3-c]pyridine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C1=CC2SC=CC2C1.C1=Nc2ccccc2C1.C1=Nc2cccnc2C1.C1=Nc2cccnc2C1.C1=Nc2ccncc2C1.C1=Nc2cnccc2C1.C1=Nc2ncccc2C1.c1cc2[nH]ccc2cn1.c1cc2[nH]ccc2cn1.c1cc2cc[nH]c2cn1.c1cc2cc[nH]c2cn1.c1cc2ccnn2cn1.c1cc2ccsc2cn1.c1cc2cncn2cn1.c1cc2nc[nH]c2cn1.c1cc2nc[nH]c2cn1.c1cc2nccn2cn1.c1cc2ncoc2cn1.c1cc2ocnc2cn1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ncc2c1.c1ccc2ocnc2c1.c1ccc2oncc2c1.c1ccn2ccnc2c1.c1ccn2cncc2c1.c1ccn2cnnc2c1.c1ccn2nccc2c1.c1ccn2ncnc2c1.c1cn2ccnc2cn1.c1cn2cncc2cn1.c1cn2nccc2cn1.c1cnc2[nH]ccc2c1.c1cnc2[nH]ncc2c1.c1cnc2cc[nH]c2c1.c1cnc2cc[nH]c2c1.c1cnc2ccnn2c1.c1cnc2nccn2c1.c1cnc2ncoc2c1.c1cnc2ocnc2c1.c1cnc2sccc2c1.c1cnn2ccnc2c1.c1cnn2cncc2c1
InChIInChI=1S/2C8H7N.16C7H6N2.2C7H5NO.2C7H5NS.C7H8S.15C6H5N3.4C6H4N2O.20CH4/c2*1-2-4-8-7(3-1)5-6-9-8;3*1-4-9-7-2-3-8-5-6(1)7;3*1-3-8-5-7-6(1)2-4-9-7;4*1-2-6-7(8-4-1)3-5-9-6;2*1-2-6-3-5-9-7(6)8-4-1;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;1-2-4-7-6(3-1)5-8-9-7;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-3-8-5-7-6(1)2-4-9-7;1-2-6-3-5-9-7(6)8-4-1;1-2-6-4-5-8-7(6)3-1;1-3-9-4-2-8-6(9)5-7-1;1-3-7-5-9-6(1)2-4-8-9;1-3-7-6-2-4-8-9(6)5-1;1-2-9-5-8-4-6(9)3-7-1;1-2-7-4-9-5-8-3-6(1)9;2*1-2-7-3-6-5(1)8-4-9-6;1-2-7-5-9-4-3-8-6(1)9;1-2-8-9-4-3-7-5-6(1)9;1-2-7-6-8-3-5-9(6)4-1;1-2-6-4-7-5-9(6)8-3-1;1-2-6-7-4-5-9(6)8-3-1;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;;;;;;;;;;;;;;;;;;;;/h1-4,6H,5H2;1-6,9H;2-5H,1H2;2*1-5,9H;1,3-5H,2H2;2*1-5,9H;2*1-2,4-5H,3H2;2*1-5,9H;1-2,4-5H,3H2;1-5H,(H,8,9);3*1-6H;1-5H,(H,8,9);4*1-5H;1,3-7H,2H2;5*1-5H;2*1-4H,(H,8,9);5*1-5H;1-4H,(H,7,8,9);2*1-5H;4*1-4H;20*1H4
InChIKeyGLINPGBDVNRYCN-UHFFFAOYSA-N
MW5345.57 g/mol
LogP67.00
Rot. Bonds

About 4,6a-dihydro-3aH-cyclopenta[b]thiophene;1,2-benzoxazole;1,3-benzoxazole;imidazo[1,2-a]pyrazine;imidazo[1,5-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,5-b]pyridazine;bis(3H-imidazo[4,5-c]pyridine);imidazo[1,2-c]pyrimidine;imidazo[1,5-c]pyrimidine;1H-indazole;1H-indole;3H-indole;methane;[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;pyrazolo[1,5-a]pyrazine;pyrazolo[1,5-a]pyridine;pyrazolo[1,5-a]pyrimidine;1H-pyrazolo[5,4-b]pyridine;pyrazolo[1,5-c]pyrimidine;1H-pyrrolo[2,3-b]pyridine;bis(1H-pyrrolo[3,2-b]pyridine);3H-pyrrolo[2,3-b]pyridine;bis(3H-pyrrolo[3,2-b]pyridine);bis(1H-pyrrolo[2,3-c]pyridine);bis(1H-pyrrolo[3,2-c]pyridine);3H-pyrrolo[2,3-c]pyridine;3H-pyrrolo[3,2-c]pyridine;thieno[2,3-b]pyridine;thieno[2,3-c]pyridine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine

4,6a-dihydro-3aH-cyclopenta[b]thiophene;1,2-benzoxazole;1,3-benzoxazole;imidazo[1,2-a]pyrazine;imidazo[1,5-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,5-b]pyridazine;bis(3H-imidazo[4,5-c]pyridine);imidazo[1,2-c]pyrimidine;imidazo[1,5-c]pyrimidine;1H-indazole;1H-indole;3H-indole;methane;[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;pyrazolo[1,5-a]pyrazine;pyrazolo[1,5-a]pyridine;pyrazolo[1,5-a]pyrimidine;1H-pyrazolo[5,4-b]pyridine;pyrazolo[1,5-c]pyrimidine;1H-pyrrolo[2,3-b]pyridine;bis(1H-pyrrolo[3,2-b]pyridine);3H-pyrrolo[2,3-b]pyridine;bis(3H-pyrrolo[3,2-b]pyridine);bis(1H-pyrrolo[2,3-c]pyridine);bis(1H-pyrrolo[3,2-c]pyridine);3H-pyrrolo[2,3-c]pyridine;3H-pyrrolo[3,2-c]pyridine;thieno[2,3-b]pyridine;thieno[2,3-c]pyridine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 158290910) has the molecular formula C297H309N91O6S3 and a molecular weight of 5345.57 g/mol. Its IUPAC name is 4,6a-dihydro-3aH-cyclopenta[b]thiophene;1,2-benzoxazole;1,3-benzoxazole;imidazo[1,2-a]pyrazine;imidazo[1,5-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,5-b]pyridazine;bis(3H-imidazo[4,5-c]pyridine);imidazo[1,2-c]pyrimidine;imidazo[1,5-c]pyrimidine;1H-indazole;1H-indole;3H-indole;methane;[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;pyrazolo[1,5-a]pyrazine;pyrazolo[1,5-a]pyridine;pyrazolo[1,5-a]pyrimidine;1H-pyrazolo[5,4-b]pyridine;pyrazolo[1,5-c]pyrimidine;1H-pyrrolo[2,3-b]pyridine;bis(1H-pyrrolo[3,2-b]pyridine);3H-pyrrolo[2,3-b]pyridine;bis(3H-pyrrolo[3,2-b]pyridine);bis(1H-pyrrolo[2,3-c]pyridine);bis(1H-pyrrolo[3,2-c]pyridine);3H-pyrrolo[2,3-c]pyridine;3H-pyrrolo[3,2-c]pyridine;thieno[2,3-b]pyridine;thieno[2,3-c]pyridine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name4,6a-dihydro-3aH-cyclopenta[b]thiophene;1,2-benzoxazole;1,3-benzoxazole;imidazo[1,2-a]pyrazine;imidazo[1,5-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,5-b]pyridazine;bis(3H-imidazo[4,5-c]pyridine);imidazo[1,2-c]pyrimidine;imidazo[1,5-c]pyrimidine;1H-indazole;1H-indole;3H-indole;methane;[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;pyrazolo[1,5-a]pyrazine;pyrazolo[1,5-a]pyridine;pyrazolo[1,5-a]pyrimidine;1H-pyrazolo[5,4-b]pyridine;pyrazolo[1,5-c]pyrimidine;1H-pyrrolo[2,3-b]pyridine;bis(1H-pyrrolo[3,2-b]pyridine);3H-pyrrolo[2,3-b]pyridine;bis(3H-pyrrolo[3,2-b]pyridine);bis(1H-pyrrolo[2,3-c]pyridine);bis(1H-pyrrolo[3,2-c]pyridine);3H-pyrrolo[2,3-c]pyridine;3H-pyrrolo[3,2-c]pyridine;thieno[2,3-b]pyridine;thieno[2,3-c]pyridine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine
PubChem CID158290910
Molecular FormulaC297H309N91O6S3
Molecular Weight5345.57 g/mol
Exact Mass5341.58
IUPAC Name4,6a-dihydro-3aH-cyclopenta[b]thiophene;1,2-benzoxazole;1,3-benzoxazole;imidazo[1,2-a]pyrazine;imidazo[1,5-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,5-b]pyridazine;bis(3H-imidazo[4,5-c]pyridine);imidazo[1,2-c]pyrimidine;imidazo[1,5-c]pyrimidine;1H-indazole;1H-indole;3H-indole;methane;[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;pyrazolo[1,5-a]pyrazine;pyrazolo[1,5-a]pyridine;pyrazolo[1,5-a]pyrimidine;1H-pyrazolo[5,4-b]pyridine;pyrazolo[1,5-c]pyrimidine;1H-pyrrolo[2,3-b]pyridine;bis(1H-pyrrolo[3,2-b]pyridine);3H-pyrrolo[2,3-b]pyridine;bis(3H-pyrrolo[3,2-b]pyridine);bis(1H-pyrrolo[2,3-c]pyridine);bis(1H-pyrrolo[3,2-c]pyridine);3H-pyrrolo[2,3-c]pyridine;3H-pyrrolo[3,2-c]pyridine;thieno[2,3-b]pyridine;thieno[2,3-c]pyridine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C1=CC2SC=CC2C1.C1=Nc2ccccc2C1.C1=Nc2cccnc2C1.C1=Nc2cccnc2C1.C1=Nc2ccncc2C1.C1=Nc2cnccc2C1.C1=Nc2ncccc2C1.c1cc2[nH]ccc2cn1.c1cc2[nH]ccc2cn1.c1cc2cc[nH]c2cn1.c1cc2cc[nH]c2cn1.c1cc2ccnn2cn1.c1cc2ccsc2cn1.c1cc2cncn2cn1.c1cc2nc[nH]c2cn1.c1cc2nc[nH]c2cn1.c1cc2nccn2cn1.c1cc2ncoc2cn1.c1cc2ocnc2cn1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ncc2c1.c1ccc2ocnc2c1.c1ccc2oncc2c1.c1ccn2ccnc2c1.c1ccn2cncc2c1.c1ccn2cnnc2c1.c1ccn2nccc2c1.c1ccn2ncnc2c1.c1cn2ccnc2cn1.c1cn2cncc2cn1.c1cn2nccc2cn1.c1cnc2[nH]ccc2c1.c1cnc2[nH]ncc2c1.c1cnc2cc[nH]c2c1.c1cnc2cc[nH]c2c1.c1cnc2ccnn2c1.c1cnc2nccn2c1.c1cnc2ncoc2c1.c1cnc2ocnc2c1.c1cnc2sccc2c1.c1cnn2ccnc2c1.c1cnn2cncc2c1
InChIInChI=1S/2C8H7N.16C7H6N2.2C7H5NO.2C7H5NS.C7H8S.15C6H5N3.4C6H4N2O.20CH4/c2*1-2-4-8-7(3-1)5-6-9-8;3*1-4-9-7-2-3-8-5-6(1)7;3*1-3-8-5-7-6(1)2-4-9-7;4*1-2-6-7(8-4-1)3-5-9-6;2*1-2-6-3-5-9-7(6)8-4-1;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;1-2-4-7-6(3-1)5-8-9-7;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-3-8-5-7-6(1)2-4-9-7;1-2-6-3-5-9-7(6)8-4-1;1-2-6-4-5-8-7(6)3-1;1-3-9-4-2-8-6(9)5-7-1;1-3-7-5-9-6(1)2-4-8-9;1-3-7-6-2-4-8-9(6)5-1;1-2-9-5-8-4-6(9)3-7-1;1-2-7-4-9-5-8-3-6(1)9;2*1-2-7-3-6-5(1)8-4-9-6;1-2-7-5-9-4-3-8-6(1)9;1-2-8-9-4-3-7-5-6(1)9;1-2-7-6-8-3-5-9(6)4-1;1-2-6-4-7-5-9(6)8-3-1;1-2-6-7-4-5-9(6)8-3-1;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;;;;;;;;;;;;;;;;;;;;/h1-4,6H,5H2;1-6,9H;2-5H,1H2;2*1-5,9H;1,3-5H,2H2;2*1-5,9H;2*1-2,4-5H,3H2;2*1-5,9H;1-2,4-5H,3H2;1-5H,(H,8,9);3*1-6H;1-5H,(H,8,9);4*1-5H;1,3-7H,2H2;5*1-5H;2*1-4H,(H,8,9);5*1-5H;1-4H,(H,7,8,9);2*1-5H;4*1-4H;20*1H4
InChIKeyGLINPGBDVNRYCN-UHFFFAOYSA-N
XLogP67.00
TPSA1156.25 Ų
H-Bond Donors12
H-Bond Acceptors88
Rotatable Bonds
Heavy Atoms397
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005345.57
LogP ≤ 567.00
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1088

Analyze 4,6a-dihydro-3aH-cyclopenta[b]thiophene;1,2-benzoxazole;1,3-benzoxazole;imidazo[1,2-a]pyrazine;imidazo[1,5-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,5-b]pyridazine;bis(3H-imidazo[4,5-c]pyridine);imidazo[1,2-c]pyrimidine;imidazo[1,5-c]pyrimidine;1H-indazole;1H-indole;3H-indole;methane;[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;pyrazolo[1,5-a]pyrazine;pyrazolo[1,5-a]pyridine;pyrazolo[1,5-a]pyrimidine;1H-pyrazolo[5,4-b]pyridine;pyrazolo[1,5-c]pyrimidine;1H-pyrrolo[2,3-b]pyridine;bis(1H-pyrrolo[3,2-b]pyridine);3H-pyrrolo[2,3-b]pyridine;bis(3H-pyrrolo[3,2-b]pyridine);bis(1H-pyrrolo[2,3-c]pyridine);bis(1H-pyrrolo[3,2-c]pyridine);3H-pyrrolo[2,3-c]pyridine;3H-pyrrolo[3,2-c]pyridine;thieno[2,3-b]pyridine;thieno[2,3-c]pyridine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine with MolForge

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What is the IUPAC name of 4,6a-dihydro-3aH-cyclopenta[b]thiophene;1,2-benzoxazole;1,3-benzoxazole;imidazo[1,2-a]pyrazine;imidazo[1,5-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,5-b]pyridazine;bis(3H-imidazo[4,5-c]pyridine);imidazo[1,2-c]pyrimidine;imidazo[1,5-c]pyrimidine;1H-indazole;1H-indole;3H-indole;methane;[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;pyrazolo[1,5-a]pyrazine;pyrazolo[1,5-a]pyridine;pyrazolo[1,5-a]pyrimidine;1H-pyrazolo[5,4-b]pyridine;pyrazolo[1,5-c]pyrimidine;1H-pyrrolo[2,3-b]pyridine;bis(1H-pyrrolo[3,2-b]pyridine);3H-pyrrolo[2,3-b]pyridine;bis(3H-pyrrolo[3,2-b]pyridine);bis(1H-pyrrolo[2,3-c]pyridine);bis(1H-pyrrolo[3,2-c]pyridine);3H-pyrrolo[2,3-c]pyridine;3H-pyrrolo[3,2-c]pyridine;thieno[2,3-b]pyridine;thieno[2,3-c]pyridine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 4,6a-dihydro-3aH-cyclopenta[b]thiophene;1,2-benzoxazole;1,3-benzoxazole;imidazo[1,2-a]pyrazine;imidazo[1,5-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,5-b]pyridazine;bis(3H-imidazo[4,5-c]pyridine);imidazo[1,2-c]pyrimidine;imidazo[1,5-c]pyrimidine;1H-indazole;1H-indole;3H-indole;methane;[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;pyrazolo[1,5-a]pyrazine;pyrazolo[1,5-a]pyridine;pyrazolo[1,5-a]pyrimidine;1H-pyrazolo[5,4-b]pyridine;pyrazolo[1,5-c]pyrimidine;1H-pyrrolo[2,3-b]pyridine;bis(1H-pyrrolo[3,2-b]pyridine);3H-pyrrolo[2,3-b]pyridine;bis(3H-pyrrolo[3,2-b]pyridine);bis(1H-pyrrolo[2,3-c]pyridine);bis(1H-pyrrolo[3,2-c]pyridine);3H-pyrrolo[2,3-c]pyridine;3H-pyrrolo[3,2-c]pyridine;thieno[2,3-b]pyridine;thieno[2,3-c]pyridine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine (CID 158290910) is 4,6a-dihydro-3aH-cyclopenta[b]thiophene;1,2-benzoxazole;1,3-benzoxazole;imidazo[1,2-a]pyrazine;imidazo[1,5-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,5-b]pyridazine;bis(3H-imidazo[4,5-c]pyridine);imidazo[1,2-c]pyrimidine;imidazo[1,5-c]pyrimidine;1H-indazole;1H-indole;3H-indole;methane;[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;pyrazolo[1,5-a]pyrazine;pyrazolo[1,5-a]pyridine;pyrazolo[1,5-a]pyrimidine;1H-pyrazolo[5,4-b]pyridine;pyrazolo[1,5-c]pyrimidine;1H-pyrrolo[2,3-b]pyridine;bis(1H-pyrrolo[3,2-b]pyridine);3H-pyrrolo[2,3-b]pyridine;bis(3H-pyrrolo[3,2-b]pyridine);bis(1H-pyrrolo[2,3-c]pyridine);bis(1H-pyrrolo[3,2-c]pyridine);3H-pyrrolo[2,3-c]pyridine;3H-pyrrolo[3,2-c]pyridine;thieno[2,3-b]pyridine;thieno[2,3-c]pyridine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 4,6a-dihydro-3aH-cyclopenta[b]thiophene;1,2-benzoxazole;1,3-benzoxazole;imidazo[1,2-a]pyrazine;imidazo[1,5-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,5-b]pyridazine;bis(3H-imidazo[4,5-c]pyridine);imidazo[1,2-c]pyrimidine;imidazo[1,5-c]pyrimidine;1H-indazole;1H-indole;3H-indole;methane;[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;pyrazolo[1,5-a]pyrazine;pyrazolo[1,5-a]pyridine;pyrazolo[1,5-a]pyrimidine;1H-pyrazolo[5,4-b]pyridine;pyrazolo[1,5-c]pyrimidine;1H-pyrrolo[2,3-b]pyridine;bis(1H-pyrrolo[3,2-b]pyridine);3H-pyrrolo[2,3-b]pyridine;bis(3H-pyrrolo[3,2-b]pyridine);bis(1H-pyrrolo[2,3-c]pyridine);bis(1H-pyrrolo[3,2-c]pyridine);3H-pyrrolo[2,3-c]pyridine;3H-pyrrolo[3,2-c]pyridine;thieno[2,3-b]pyridine;thieno[2,3-c]pyridine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 4,6a-dihydro-3aH-cyclopenta[b]thiophene;1,2-benzoxazole;1,3-benzoxazole;imidazo[1,2-a]pyrazine;imidazo[1,5-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,5-b]pyridazine;bis(3H-imidazo[4,5-c]pyridine);imidazo[1,2-c]pyrimidine;imidazo[1,5-c]pyrimidine;1H-indazole;1H-indole;3H-indole;methane;[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;pyrazolo[1,5-a]pyrazine;pyrazolo[1,5-a]pyridine;pyrazolo[1,5-a]pyrimidine;1H-pyrazolo[5,4-b]pyridine;pyrazolo[1,5-c]pyrimidine;1H-pyrrolo[2,3-b]pyridine;bis(1H-pyrrolo[3,2-b]pyridine);3H-pyrrolo[2,3-b]pyridine;bis(3H-pyrrolo[3,2-b]pyridine);bis(1H-pyrrolo[2,3-c]pyridine);bis(1H-pyrrolo[3,2-c]pyridine);3H-pyrrolo[2,3-c]pyridine;3H-pyrrolo[3,2-c]pyridine;thieno[2,3-b]pyridine;thieno[2,3-c]pyridine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C1=CC2SC=CC2C1.C1=Nc2ccccc2C1.C1=Nc2cccnc2C1.C1=Nc2cccnc2C1.C1=Nc2ccncc2C1.C1=Nc2cnccc2C1.C1=Nc2ncccc2C1.c1cc2[nH]ccc2cn1.c1cc2[nH]ccc2cn1.c1cc2cc[nH]c2cn1.c1cc2cc[nH]c2cn1.c1cc2ccnn2cn1.c1cc2ccsc2cn1.c1cc2cncn2cn1.c1cc2nc[nH]c2cn1.c1cc2nc[nH]c2cn1.c1cc2nccn2cn1.c1cc2ncoc2cn1.c1cc2ocnc2cn1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ncc2c1.c1ccc2ocnc2c1.c1ccc2oncc2c1.c1ccn2ccnc2c1.c1ccn2cncc2c1.c1ccn2cnnc2c1.c1ccn2nccc2c1.c1ccn2ncnc2c1.c1cn2ccnc2cn1.c1cn2cncc2cn1.c1cn2nccc2cn1.c1cnc2[nH]ccc2c1.c1cnc2[nH]ncc2c1.c1cnc2cc[nH]c2c1.c1cnc2cc[nH]c2c1.c1cnc2ccnn2c1.c1cnc2nccn2c1.c1cnc2ncoc2c1.c1cnc2ocnc2c1.c1cnc2sccc2c1.c1cnn2ccnc2c1.c1cnn2cncc2c1.
What is the InChIKey of 4,6a-dihydro-3aH-cyclopenta[b]thiophene;1,2-benzoxazole;1,3-benzoxazole;imidazo[1,2-a]pyrazine;imidazo[1,5-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,5-b]pyridazine;bis(3H-imidazo[4,5-c]pyridine);imidazo[1,2-c]pyrimidine;imidazo[1,5-c]pyrimidine;1H-indazole;1H-indole;3H-indole;methane;[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;pyrazolo[1,5-a]pyrazine;pyrazolo[1,5-a]pyridine;pyrazolo[1,5-a]pyrimidine;1H-pyrazolo[5,4-b]pyridine;pyrazolo[1,5-c]pyrimidine;1H-pyrrolo[2,3-b]pyridine;bis(1H-pyrrolo[3,2-b]pyridine);3H-pyrrolo[2,3-b]pyridine;bis(3H-pyrrolo[3,2-b]pyridine);bis(1H-pyrrolo[2,3-c]pyridine);bis(1H-pyrrolo[3,2-c]pyridine);3H-pyrrolo[2,3-c]pyridine;3H-pyrrolo[3,2-c]pyridine;thieno[2,3-b]pyridine;thieno[2,3-c]pyridine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is GLINPGBDVNRYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H7N.16C7H6N2.2C7H5NO.2C7H5NS.C7H8S.15C6H5N3.4C6H4N2O.20CH4/c2*1-2-4-8-7(3-1)5-6-9-8;3*1-4-9-7-2-3-8-5-6(1)7;3*1-3-8-5-7-6(1)2-4-9-7;4*1-2-6-7(8-4-1)3-5-9-6;2*1-2-6-3-5-9-7(6)8-4-1;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;1-2-4-7-6(3-1)5-8-9-7;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-3-8-5-7-6(1)2-4-9-7;1-2-6-3-5-9-7(6)8-4-1;1-2-6-4-5-8-7(6)3-1;1-3-9-4-2-8-6(9)5-7-1;1-3-7-5-9-6(1)2-4-8-9;1-3-7-6-2-4-8-9(6)5-1;1-2-9-5-8-4-6(9)3-7-1;1-2-7-4-9-5-8-3-6(1)9;2*1-2-7-3-6-5(1)8-4-9-6;1-2-7-5-9-4-3-8-6(1)9;1-2-8-9-4-3-7-5-6(1)9;1-2-7-6-8-3-5-9(6)4-1;1-2-6-4-7-5-9(6)8-3-1;1-2-6-7-4-5-9(6)8-3-1;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;;;;;;;;;;;;;;;;;;;;/h1-4,6H,5H2;1-6,9H;2-5H,1H2;2*1-5,9H;1,3-5H,2H2;2*1-5,9H;2*1-2,4-5H,3H2;2*1-5,9H;1-2,4-5H,3H2;1-5H,(H,8,9);3*1-6H;1-5H,(H,8,9);4*1-5H;1,3-7H,2H2;5*1-5H;2*1-4H,(H,8,9);5*1-5H;1-4H,(H,7,8,9);2*1-5H;4*1-4H;20*1H4.
What are the key properties of 4,6a-dihydro-3aH-cyclopenta[b]thiophene;1,2-benzoxazole;1,3-benzoxazole;imidazo[1,2-a]pyrazine;imidazo[1,5-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,5-b]pyridazine;bis(3H-imidazo[4,5-c]pyridine);imidazo[1,2-c]pyrimidine;imidazo[1,5-c]pyrimidine;1H-indazole;1H-indole;3H-indole;methane;[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;pyrazolo[1,5-a]pyrazine;pyrazolo[1,5-a]pyridine;pyrazolo[1,5-a]pyrimidine;1H-pyrazolo[5,4-b]pyridine;pyrazolo[1,5-c]pyrimidine;1H-pyrrolo[2,3-b]pyridine;bis(1H-pyrrolo[3,2-b]pyridine);3H-pyrrolo[2,3-b]pyridine;bis(3H-pyrrolo[3,2-b]pyridine);bis(1H-pyrrolo[2,3-c]pyridine);bis(1H-pyrrolo[3,2-c]pyridine);3H-pyrrolo[2,3-c]pyridine;3H-pyrrolo[3,2-c]pyridine;thieno[2,3-b]pyridine;thieno[2,3-c]pyridine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine?
4,6a-dihydro-3aH-cyclopenta[b]thiophene;1,2-benzoxazole;1,3-benzoxazole;imidazo[1,2-a]pyrazine;imidazo[1,5-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,5-b]pyridazine;bis(3H-imidazo[4,5-c]pyridine);imidazo[1,2-c]pyrimidine;imidazo[1,5-c]pyrimidine;1H-indazole;1H-indole;3H-indole;methane;[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;pyrazolo[1,5-a]pyrazine;pyrazolo[1,5-a]pyridine;pyrazolo[1,5-a]pyrimidine;1H-pyrazolo[5,4-b]pyridine;pyrazolo[1,5-c]pyrimidine;1H-pyrrolo[2,3-b]pyridine;bis(1H-pyrrolo[3,2-b]pyridine);3H-pyrrolo[2,3-b]pyridine;bis(3H-pyrrolo[3,2-b]pyridine);bis(1H-pyrrolo[2,3-c]pyridine);bis(1H-pyrrolo[3,2-c]pyridine);3H-pyrrolo[2,3-c]pyridine;3H-pyrrolo[3,2-c]pyridine;thieno[2,3-b]pyridine;thieno[2,3-c]pyridine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 5345.57 g/mol, XLogP of 67.00, 0 rotatable bonds, 12 hydrogen bond donors, and 88 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6a-dihydro-3aH-cyclopenta[b]thiophene;1,2-benzoxazole;1,3-benzoxazole;imidazo[1,2-a]pyrazine;imidazo[1,5-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,5-b]pyridazine;bis(3H-imidazo[4,5-c]pyridine);imidazo[1,2-c]pyrimidine;imidazo[1,5-c]pyrimidine;1H-indazole;1H-indole;3H-indole;methane;[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;pyrazolo[1,5-a]pyrazine;pyrazolo[1,5-a]pyridine;pyrazolo[1,5-a]pyrimidine;1H-pyrazolo[5,4-b]pyridine;pyrazolo[1,5-c]pyrimidine;1H-pyrrolo[2,3-b]pyridine;bis(1H-pyrrolo[3,2-b]pyridine);3H-pyrrolo[2,3-b]pyridine;bis(3H-pyrrolo[3,2-b]pyridine);bis(1H-pyrrolo[2,3-c]pyridine);bis(1H-pyrrolo[3,2-c]pyridine);3H-pyrrolo[2,3-c]pyridine;3H-pyrrolo[3,2-c]pyridine;thieno[2,3-b]pyridine;thieno[2,3-c]pyridine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 158290910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).