4-[4-[2-(1,2-benzothiazol-7-yl)-7-(methylamino)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]cyclohexan-1-ol

C24H23N5O2S — CID 66760886

About 4-[4-[2-(1,2-benzothiazol-7-yl)-7-(methylamino)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]cyclohexan-1-ol

4-[4-[2-(1,2-benzothiazol-7-yl)-7-(methylamino)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]cyclohexan-1-ol (PubChem CID 66760886) has the molecular formula C24H23N5O2S and a molecular weight of 445.55 g/mol. Its IUPAC name is 4-[4-[2-(1,2-benzothiazol-7-yl)-7-(methylamino)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]cyclohexan-1-ol.

Molecular Properties

• Compound Name: 4-[4-[2-(1,2-benzothiazol-7-yl)-7-(methylamino)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]cyclohexan-1-ol
• PubChem CID: 66760886
• Molecular Formula: C24H23N5O2S
• Molecular Weight: 445.55 g/mol
• Exact Mass: 445.16
• IUPAC Name: 4-[4-[2-(1,2-benzothiazol-7-yl)-7-(methylamino)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]cyclohexan-1-ol
• SMILES: CNc1ncc(-c2cnn(C3CCC(O)CC3)c2)c2cc(-c3cccc4cnsc34)oc12
• InChI: InChI=1S/C24H23N5O2S/c1-25-24-22-19(9-21(31-22)18-4-2-3-14-11-28-32-23(14)18)20(12-26-24)15-10-27-29(13-15)16-5-7-17(30)8-6-16/h2-4,9-13,16-17,30H,5-8H2,1H3,(H,25,26)
• InChIKey: AECIVJMNBYBZLH-UHFFFAOYSA-N
• XLogP: 5.49
• TPSA: 89.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	445.55
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(1,2-benzothiazol-7-yl)-7-(methylamino)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]cyclohexan-1-ol?

The IUPAC name of 4-[4-[2-(1,2-benzothiazol-7-yl)-7-(methylamino)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]cyclohexan-1-ol (CID 66760886) is 4-[4-[2-(1,2-benzothiazol-7-yl)-7-(methylamino)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]cyclohexan-1-ol.

What is the SMILES notation for 4-[4-[2-(1,2-benzothiazol-7-yl)-7-(methylamino)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]cyclohexan-1-ol?

The canonical SMILES for 4-[4-[2-(1,2-benzothiazol-7-yl)-7-(methylamino)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]cyclohexan-1-ol is CNc1ncc(-c2cnn(C3CCC(O)CC3)c2)c2cc(-c3cccc4cnsc34)oc12.

What is the InChIKey of 4-[4-[2-(1,2-benzothiazol-7-yl)-7-(methylamino)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]cyclohexan-1-ol?

The InChIKey is AECIVJMNBYBZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2S/c1-25-24-22-19(9-21(31-22)18-4-2-3-14-11-28-32-23(14)18)20(12-26-24)15-10-27-29(13-15)16-5-7-17(30)8-6-16/h2-4,9-13,16-17,30H,5-8H2,1H3,(H,25,26).

What are the key properties of 4-[4-[2-(1,2-benzothiazol-7-yl)-7-(methylamino)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]cyclohexan-1-ol?

4-[4-[2-(1,2-benzothiazol-7-yl)-7-(methylamino)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]cyclohexan-1-ol has a molecular weight of 445.55 g/mol, XLogP of 5.49, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[2-(1,2-benzothiazol-7-yl)-7-(methylamino)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 66760886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).