5H-cyclopenta[c]pyridine;2-methylthieno[2,3-b]pyrazine;[1,3]oxazolo[4,5-c]pyridazine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;tris([1,3]oxazolo[4,5-d]pyridazine);[1,3]thiazolo[4,5-b]pyrazine;[1,3]thiazolo[4,5-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;tris([1,3]thiazolo[4,5-d]pyridazine);thieno[2,3-b]pyrazine;thieno[3,2-c]pyridine;tris(thieno[2,3-d]pyridazine)

C110H74N44O6S12 — CID 160610611

IUPAC5H-cyclopenta[c]pyridine;2-methylthieno[2,3-b]pyrazine;[1,3]oxazolo[4,5-c]pyridazine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;tris([1,3]oxazolo[4,5-d]pyridazine);[1,3]thiazolo[4,5-b]pyrazine;[1,3]thiazolo[4,5-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;tris([1,3]thiazolo[4,5-d]pyridazine);thieno[2,3-b]pyrazine;thieno[3,2-c]pyridine;tris(thieno[2,3-d]pyridazine)
SMILESC1=Cc2cnccc2C1.Cc1cnc2sccc2n1.c1cc2cnncc2s1.c1cc2cnncc2s1.c1cc2cnncc2s1.c1cc2ncoc2cn1.c1cc2ncsc2cn1.c1cc2ocnc2cn1.c1cc2ocnc2nn1.c1cc2sccc2cn1.c1cc2scnc2cn1.c1cnc2sccc2n1.c1cnc2scnc2n1.c1nc2cnncc2o1.c1nc2cnncc2o1.c1nc2cnncc2o1.c1nc2cnncc2s1.c1nc2cnncc2s1.c1nc2cnncc2s1
InChIInChI=1S/C8H7N.C7H6N2S.C7H5NS.2C6H4N2O.6C6H4N2S.4C5H3N3O.4C5H3N3S/c1-2-7-4-5-9-6-8(7)3-1;1-5-4-8-7-6(9-5)2-3-10-7;1-3-8-5-6-2-4-9-7(1)6;1-2-7-3-5-6(1)9-4-8-5;1-2-7-3-6-5(1)8-4-9-6;1-4-9-6-5(1)7-2-3-8-6;1-2-7-3-5-6(1)9-4-8-5;1-2-7-3-6-5(1)8-4-9-6;3*1-2-9-6-4-8-7-3-5(1)6;3*1-4-5(2-8-7-1)9-3-6-4;1-2-7-8-5-4(1)9-3-6-5;3*1-4-5(2-8-7-1)9-3-6-4;1-2-7-5-4(6-1)8-3-9-5/h1,3-6H,2H2;2-4H,1H3;1-5H;8*1-4H;8*1-3H
InChIKeyRFLSNXWEJLRSEI-UHFFFAOYSA-N
MW2492.91 g/mol
LogP25.36
Rot. Bonds

About 5H-cyclopenta[c]pyridine;2-methylthieno[2,3-b]pyrazine;[1,3]oxazolo[4,5-c]pyridazine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;tris([1,3]oxazolo[4,5-d]pyridazine);[1,3]thiazolo[4,5-b]pyrazine;[1,3]thiazolo[4,5-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;tris([1,3]thiazolo[4,5-d]pyridazine);thieno[2,3-b]pyrazine;thieno[3,2-c]pyridine;tris(thieno[2,3-d]pyridazine)

5H-cyclopenta[c]pyridine;2-methylthieno[2,3-b]pyrazine;[1,3]oxazolo[4,5-c]pyridazine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;tris([1,3]oxazolo[4,5-d]pyridazine);[1,3]thiazolo[4,5-b]pyrazine;[1,3]thiazolo[4,5-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;tris([1,3]thiazolo[4,5-d]pyridazine);thieno[2,3-b]pyrazine;thieno[3,2-c]pyridine;tris(thieno[2,3-d]pyridazine) (PubChem CID 160610611) has the molecular formula C110H74N44O6S12 and a molecular weight of 2492.91 g/mol. Its IUPAC name is 5H-cyclopenta[c]pyridine;2-methylthieno[2,3-b]pyrazine;[1,3]oxazolo[4,5-c]pyridazine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;tris([1,3]oxazolo[4,5-d]pyridazine);[1,3]thiazolo[4,5-b]pyrazine;[1,3]thiazolo[4,5-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;tris([1,3]thiazolo[4,5-d]pyridazine);thieno[2,3-b]pyrazine;thieno[3,2-c]pyridine;tris(thieno[2,3-d]pyridazine).

Molecular Properties

Compound Name5H-cyclopenta[c]pyridine;2-methylthieno[2,3-b]pyrazine;[1,3]oxazolo[4,5-c]pyridazine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;tris([1,3]oxazolo[4,5-d]pyridazine);[1,3]thiazolo[4,5-b]pyrazine;[1,3]thiazolo[4,5-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;tris([1,3]thiazolo[4,5-d]pyridazine);thieno[2,3-b]pyrazine;thieno[3,2-c]pyridine;tris(thieno[2,3-d]pyridazine)
PubChem CID160610611
Molecular FormulaC110H74N44O6S12
Molecular Weight2492.91 g/mol
Exact Mass2490.35
IUPAC Name5H-cyclopenta[c]pyridine;2-methylthieno[2,3-b]pyrazine;[1,3]oxazolo[4,5-c]pyridazine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;tris([1,3]oxazolo[4,5-d]pyridazine);[1,3]thiazolo[4,5-b]pyrazine;[1,3]thiazolo[4,5-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;tris([1,3]thiazolo[4,5-d]pyridazine);thieno[2,3-b]pyrazine;thieno[3,2-c]pyridine;tris(thieno[2,3-d]pyridazine)
SMILESC1=Cc2cnccc2C1.Cc1cnc2sccc2n1.c1cc2cnncc2s1.c1cc2cnncc2s1.c1cc2cnncc2s1.c1cc2ncoc2cn1.c1cc2ncsc2cn1.c1cc2ocnc2cn1.c1cc2ocnc2nn1.c1cc2sccc2cn1.c1cc2scnc2cn1.c1cnc2sccc2n1.c1cnc2scnc2n1.c1nc2cnncc2o1.c1nc2cnncc2o1.c1nc2cnncc2o1.c1nc2cnncc2s1.c1nc2cnncc2s1.c1nc2cnncc2s1
InChIInChI=1S/C8H7N.C7H6N2S.C7H5NS.2C6H4N2O.6C6H4N2S.4C5H3N3O.4C5H3N3S/c1-2-7-4-5-9-6-8(7)3-1;1-5-4-8-7-6(9-5)2-3-10-7;1-3-8-5-6-2-4-9-7(1)6;1-2-7-3-5-6(1)9-4-8-5;1-2-7-3-6-5(1)8-4-9-6;1-4-9-6-5(1)7-2-3-8-6;1-2-7-3-5-6(1)9-4-8-5;1-2-7-3-6-5(1)8-4-9-6;3*1-2-9-6-4-8-7-3-5(1)6;3*1-4-5(2-8-7-1)9-3-6-4;1-2-7-8-5-4(1)9-3-6-5;3*1-4-5(2-8-7-1)9-3-6-4;1-2-7-5-4(6-1)8-3-9-5/h1,3-6H,2H2;2-4H,1H3;1-5H;8*1-4H;8*1-3H
InChIKeyRFLSNXWEJLRSEI-UHFFFAOYSA-N
XLogP25.36
TPSA646.00 Ų
H-Bond Donors
H-Bond Acceptors62
Rotatable Bonds
Heavy Atoms172
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002492.91
LogP ≤ 525.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1062

Analyze 5H-cyclopenta[c]pyridine;2-methylthieno[2,3-b]pyrazine;[1,3]oxazolo[4,5-c]pyridazine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;tris([1,3]oxazolo[4,5-d]pyridazine);[1,3]thiazolo[4,5-b]pyrazine;[1,3]thiazolo[4,5-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;tris([1,3]thiazolo[4,5-d]pyridazine);thieno[2,3-b]pyrazine;thieno[3,2-c]pyridine;tris(thieno[2,3-d]pyridazine) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5H-cyclopenta[c]pyridine;2-methylthieno[2,3-b]pyrazine;[1,3]oxazolo[4,5-c]pyridazine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;tris([1,3]oxazolo[4,5-d]pyridazine);[1,3]thiazolo[4,5-b]pyrazine;[1,3]thiazolo[4,5-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;tris([1,3]thiazolo[4,5-d]pyridazine);thieno[2,3-b]pyrazine;thieno[3,2-c]pyridine;tris(thieno[2,3-d]pyridazine)?
The IUPAC name of 5H-cyclopenta[c]pyridine;2-methylthieno[2,3-b]pyrazine;[1,3]oxazolo[4,5-c]pyridazine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;tris([1,3]oxazolo[4,5-d]pyridazine);[1,3]thiazolo[4,5-b]pyrazine;[1,3]thiazolo[4,5-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;tris([1,3]thiazolo[4,5-d]pyridazine);thieno[2,3-b]pyrazine;thieno[3,2-c]pyridine;tris(thieno[2,3-d]pyridazine) (CID 160610611) is 5H-cyclopenta[c]pyridine;2-methylthieno[2,3-b]pyrazine;[1,3]oxazolo[4,5-c]pyridazine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;tris([1,3]oxazolo[4,5-d]pyridazine);[1,3]thiazolo[4,5-b]pyrazine;[1,3]thiazolo[4,5-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;tris([1,3]thiazolo[4,5-d]pyridazine);thieno[2,3-b]pyrazine;thieno[3,2-c]pyridine;tris(thieno[2,3-d]pyridazine).
What is the SMILES notation for 5H-cyclopenta[c]pyridine;2-methylthieno[2,3-b]pyrazine;[1,3]oxazolo[4,5-c]pyridazine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;tris([1,3]oxazolo[4,5-d]pyridazine);[1,3]thiazolo[4,5-b]pyrazine;[1,3]thiazolo[4,5-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;tris([1,3]thiazolo[4,5-d]pyridazine);thieno[2,3-b]pyrazine;thieno[3,2-c]pyridine;tris(thieno[2,3-d]pyridazine)?
The canonical SMILES for 5H-cyclopenta[c]pyridine;2-methylthieno[2,3-b]pyrazine;[1,3]oxazolo[4,5-c]pyridazine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;tris([1,3]oxazolo[4,5-d]pyridazine);[1,3]thiazolo[4,5-b]pyrazine;[1,3]thiazolo[4,5-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;tris([1,3]thiazolo[4,5-d]pyridazine);thieno[2,3-b]pyrazine;thieno[3,2-c]pyridine;tris(thieno[2,3-d]pyridazine) is C1=Cc2cnccc2C1.Cc1cnc2sccc2n1.c1cc2cnncc2s1.c1cc2cnncc2s1.c1cc2cnncc2s1.c1cc2ncoc2cn1.c1cc2ncsc2cn1.c1cc2ocnc2cn1.c1cc2ocnc2nn1.c1cc2sccc2cn1.c1cc2scnc2cn1.c1cnc2sccc2n1.c1cnc2scnc2n1.c1nc2cnncc2o1.c1nc2cnncc2o1.c1nc2cnncc2o1.c1nc2cnncc2s1.c1nc2cnncc2s1.c1nc2cnncc2s1.
What is the InChIKey of 5H-cyclopenta[c]pyridine;2-methylthieno[2,3-b]pyrazine;[1,3]oxazolo[4,5-c]pyridazine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;tris([1,3]oxazolo[4,5-d]pyridazine);[1,3]thiazolo[4,5-b]pyrazine;[1,3]thiazolo[4,5-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;tris([1,3]thiazolo[4,5-d]pyridazine);thieno[2,3-b]pyrazine;thieno[3,2-c]pyridine;tris(thieno[2,3-d]pyridazine)?
The InChIKey is RFLSNXWEJLRSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N.C7H6N2S.C7H5NS.2C6H4N2O.6C6H4N2S.4C5H3N3O.4C5H3N3S/c1-2-7-4-5-9-6-8(7)3-1;1-5-4-8-7-6(9-5)2-3-10-7;1-3-8-5-6-2-4-9-7(1)6;1-2-7-3-5-6(1)9-4-8-5;1-2-7-3-6-5(1)8-4-9-6;1-4-9-6-5(1)7-2-3-8-6;1-2-7-3-5-6(1)9-4-8-5;1-2-7-3-6-5(1)8-4-9-6;3*1-2-9-6-4-8-7-3-5(1)6;3*1-4-5(2-8-7-1)9-3-6-4;1-2-7-8-5-4(1)9-3-6-5;3*1-4-5(2-8-7-1)9-3-6-4;1-2-7-5-4(6-1)8-3-9-5/h1,3-6H,2H2;2-4H,1H3;1-5H;8*1-4H;8*1-3H.
What are the key properties of 5H-cyclopenta[c]pyridine;2-methylthieno[2,3-b]pyrazine;[1,3]oxazolo[4,5-c]pyridazine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;tris([1,3]oxazolo[4,5-d]pyridazine);[1,3]thiazolo[4,5-b]pyrazine;[1,3]thiazolo[4,5-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;tris([1,3]thiazolo[4,5-d]pyridazine);thieno[2,3-b]pyrazine;thieno[3,2-c]pyridine;tris(thieno[2,3-d]pyridazine)?
5H-cyclopenta[c]pyridine;2-methylthieno[2,3-b]pyrazine;[1,3]oxazolo[4,5-c]pyridazine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;tris([1,3]oxazolo[4,5-d]pyridazine);[1,3]thiazolo[4,5-b]pyrazine;[1,3]thiazolo[4,5-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;tris([1,3]thiazolo[4,5-d]pyridazine);thieno[2,3-b]pyrazine;thieno[3,2-c]pyridine;tris(thieno[2,3-d]pyridazine) has a molecular weight of 2492.91 g/mol, XLogP of 25.36, 0 rotatable bonds, 0 hydrogen bond donors, and 62 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-cyclopenta[c]pyridine;2-methylthieno[2,3-b]pyrazine;[1,3]oxazolo[4,5-c]pyridazine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;tris([1,3]oxazolo[4,5-d]pyridazine);[1,3]thiazolo[4,5-b]pyrazine;[1,3]thiazolo[4,5-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;tris([1,3]thiazolo[4,5-d]pyridazine);thieno[2,3-b]pyrazine;thieno[3,2-c]pyridine;tris(thieno[2,3-d]pyridazine) is sourced from PubChem (CID 160610611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).