2-[[6-[(6-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol

C25H24N6OS — CID 172834786

About 2-[[6-[(6-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol

2-[[6-[(6-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol (PubChem CID 172834786) has the molecular formula C25H24N6OS and a molecular weight of 456.58 g/mol. Its IUPAC name is 2-[[6-[(6-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

• Compound Name: 2-[[6-[(6-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
• PubChem CID: 172834786
• Molecular Formula: C25H24N6OS
• Molecular Weight: 456.58 g/mol
• Exact Mass: 456.17
• IUPAC Name: 2-[[6-[(6-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
• SMILES: OC1CCCCC1Nc1nc2ccc(Cc3nc4ncc(-c5ccccn5)cc4[nH]3)cc2s1
• InChI: InChI=1S/C25H24N6OS/c32-21-7-2-1-6-18(21)29-25-30-19-9-8-15(11-22(19)33-25)12-23-28-20-13-16(14-27-24(20)31-23)17-5-3-4-10-26-17/h3-5,8-11,13-14,18,21,32H,1-2,6-7,12H2,(H,29,30)(H,27,28,31)
• InChIKey: VZSJYOOKEPSKSB-UHFFFAOYSA-N
• XLogP: 4.94
• TPSA: 99.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.58
LogP ≤ 5	4.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[(6-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol?

The IUPAC name of 2-[[6-[(6-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol (CID 172834786) is 2-[[6-[(6-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol.

What is the SMILES notation for 2-[[6-[(6-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol?

The canonical SMILES for 2-[[6-[(6-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol is OC1CCCCC1Nc1nc2ccc(Cc3nc4ncc(-c5ccccn5)cc4[nH]3)cc2s1.

What is the InChIKey of 2-[[6-[(6-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol?

The InChIKey is VZSJYOOKEPSKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6OS/c32-21-7-2-1-6-18(21)29-25-30-19-9-8-15(11-22(19)33-25)12-23-28-20-13-16(14-27-24(20)31-23)17-5-3-4-10-26-17/h3-5,8-11,13-14,18,21,32H,1-2,6-7,12H2,(H,29,30)(H,27,28,31).

What are the key properties of 2-[[6-[(6-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol?

2-[[6-[(6-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol has a molecular weight of 456.58 g/mol, XLogP of 4.94, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[6-[(6-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 172834786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).