1,3-benzothiazol-2-yl-[4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

C22H15F3N6OS — CID 170333239

About 1,3-benzothiazol-2-yl-[4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

1,3-benzothiazol-2-yl-[4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 170333239) has the molecular formula C22H15F3N6OS and a molecular weight of 468.46 g/mol. Its IUPAC name is 1,3-benzothiazol-2-yl-[4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

• Compound Name: 1,3-benzothiazol-2-yl-[4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
• PubChem CID: 170333239
• Molecular Formula: C22H15F3N6OS
• Molecular Weight: 468.46 g/mol
• Exact Mass: 468.10
• IUPAC Name: 1,3-benzothiazol-2-yl-[4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
• SMILES: O=C(c1nc2ccccc2s1)N1CCc2[nH]cnc2C1c1cc2c(C(F)(F)F)cccn2n1
• InChI: InChI=1S/C22H15F3N6OS/c23-22(24,25)12-4-3-8-31-16(12)10-15(29-31)19-18-14(26-11-27-18)7-9-30(19)21(32)20-28-13-5-1-2-6-17(13)33-20/h1-6,8,10-11,19H,7,9H2,(H,26,27)
• InChIKey: SADKRSDKOMRAPG-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 79.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.46
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-2-yl-[4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?

The IUPAC name of 1,3-benzothiazol-2-yl-[4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (CID 170333239) is 1,3-benzothiazol-2-yl-[4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

What is the SMILES notation for 1,3-benzothiazol-2-yl-[4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?

The canonical SMILES for 1,3-benzothiazol-2-yl-[4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is O=C(c1nc2ccccc2s1)N1CCc2[nH]cnc2C1c1cc2c(C(F)(F)F)cccn2n1.

What is the InChIKey of 1,3-benzothiazol-2-yl-[4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?

The InChIKey is SADKRSDKOMRAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N6OS/c23-22(24,25)12-4-3-8-31-16(12)10-15(29-31)19-18-14(26-11-27-18)7-9-30(19)21(32)20-28-13-5-1-2-6-17(13)33-20/h1-6,8,10-11,19H,7,9H2,(H,26,27).

What are the key properties of 1,3-benzothiazol-2-yl-[4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?

1,3-benzothiazol-2-yl-[4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 468.46 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-benzothiazol-2-yl-[4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 170333239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).