[4-[2-[2-(5-chloro-2-hydroxyphenyl)-1,3-thiazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone

C28H21ClF3N5O3S — CID 170734083

About [4-[2-[2-(5-chloro-2-hydroxyphenyl)-1,3-thiazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone

[4-[2-[2-(5-chloro-2-hydroxyphenyl)-1,3-thiazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone (PubChem CID 170734083) has the molecular formula C28H21ClF3N5O3S and a molecular weight of 600.02 g/mol. Its IUPAC name is [4-[2-[2-(5-chloro-2-hydroxyphenyl)-1,3-thiazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

• Compound Name: [4-[2-[2-(5-chloro-2-hydroxyphenyl)-1,3-thiazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
• PubChem CID: 170734083
• Molecular Formula: C28H21ClF3N5O3S
• Molecular Weight: 600.02 g/mol
• Exact Mass: 599.10
• IUPAC Name: [4-[2-[2-(5-chloro-2-hydroxyphenyl)-1,3-thiazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
• SMILES: O=C(c1ccc(OC(F)(F)F)cc1)N1CCC(c2ccnc3nc(-c4csc(-c5cc(Cl)ccc5O)n4)[nH]c23)CC1
• InChI: InChI=1S/C28H21ClF3N5O3S/c29-17-3-6-22(38)20(13-17)26-34-21(14-41-26)24-35-23-19(7-10-33-25(23)36-24)15-8-11-37(12-9-15)27(39)16-1-4-18(5-2-16)40-28(30,31)32/h1-7,10,13-15,38H,8-9,11-12H2,(H,33,35,36)
• InChIKey: FVQAJHMQGSDCGP-UHFFFAOYSA-N
• XLogP: 7.03
• TPSA: 104.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	600.02
LogP ≤ 5	7.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [4-[2-[2-(5-chloro-2-hydroxyphenyl)-1,3-thiazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?

The IUPAC name of [4-[2-[2-(5-chloro-2-hydroxyphenyl)-1,3-thiazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone (CID 170734083) is [4-[2-[2-(5-chloro-2-hydroxyphenyl)-1,3-thiazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone.

What is the SMILES notation for [4-[2-[2-(5-chloro-2-hydroxyphenyl)-1,3-thiazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?

The canonical SMILES for [4-[2-[2-(5-chloro-2-hydroxyphenyl)-1,3-thiazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone is O=C(c1ccc(OC(F)(F)F)cc1)N1CCC(c2ccnc3nc(-c4csc(-c5cc(Cl)ccc5O)n4)[nH]c23)CC1.

What is the InChIKey of [4-[2-[2-(5-chloro-2-hydroxyphenyl)-1,3-thiazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?

The InChIKey is FVQAJHMQGSDCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21ClF3N5O3S/c29-17-3-6-22(38)20(13-17)26-34-21(14-41-26)24-35-23-19(7-10-33-25(23)36-24)15-8-11-37(12-9-15)27(39)16-1-4-18(5-2-16)40-28(30,31)32/h1-7,10,13-15,38H,8-9,11-12H2,(H,33,35,36).

What are the key properties of [4-[2-[2-(5-chloro-2-hydroxyphenyl)-1,3-thiazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?

[4-[2-[2-(5-chloro-2-hydroxyphenyl)-1,3-thiazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone has a molecular weight of 600.02 g/mol, XLogP of 7.03, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[2-[2-(5-chloro-2-hydroxyphenyl)-1,3-thiazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 170734083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).