5-(6-cyanoimidazo[1,2-a]pyridin-3-yl)-3-[1-[2-(difluoromethoxy)-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]phenyl]ethoxy]thiophene-2-carboxamide

C27H27F2N5O4S — CID 67437345

About 5-(6-cyanoimidazo[1,2-a]pyridin-3-yl)-3-[1-[2-(difluoromethoxy)-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]phenyl]ethoxy]thiophene-2-carboxamide

5-(6-cyanoimidazo[1,2-a]pyridin-3-yl)-3-[1-[2-(difluoromethoxy)-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]phenyl]ethoxy]thiophene-2-carboxamide (PubChem CID 67437345) has the molecular formula C27H27F2N5O4S and a molecular weight of 555.61 g/mol. Its IUPAC name is 5-(6-cyanoimidazo[1,2-a]pyridin-3-yl)-3-[1-[2-(difluoromethoxy)-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]phenyl]ethoxy]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-(6-cyanoimidazo[1,2-a]pyridin-3-yl)-3-[1-[2-(difluoromethoxy)-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]phenyl]ethoxy]thiophene-2-carboxamide
• PubChem CID: 67437345
• Molecular Formula: C27H27F2N5O4S
• Molecular Weight: 555.61 g/mol
• Exact Mass: 555.18
• IUPAC Name: 5-(6-cyanoimidazo[1,2-a]pyridin-3-yl)-3-[1-[2-(difluoromethoxy)-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]phenyl]ethoxy]thiophene-2-carboxamide
• SMILES: CC(Oc1cc(-c2cnc3ccc(C#N)cn23)sc1C(N)=O)c1ccc(CNC(C)(C)CO)cc1OC(F)F
• InChI: InChI=1S/C27H27F2N5O4S/c1-15(18-6-4-16(8-20(18)38-26(28)29)11-33-27(2,3)14-35)37-21-9-22(39-24(21)25(31)36)19-12-32-23-7-5-17(10-30)13-34(19)23/h4-9,12-13,15,26,33,35H,11,14H2,1-3H3,(H2,31,36)
• InChIKey: NRKXATXHTWRTCV-UHFFFAOYSA-N
• XLogP: 4.64
• TPSA: 134.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	555.61
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-(6-cyanoimidazo[1,2-a]pyridin-3-yl)-3-[1-[2-(difluoromethoxy)-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]phenyl]ethoxy]thiophene-2-carboxamide?

The IUPAC name of 5-(6-cyanoimidazo[1,2-a]pyridin-3-yl)-3-[1-[2-(difluoromethoxy)-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]phenyl]ethoxy]thiophene-2-carboxamide (CID 67437345) is 5-(6-cyanoimidazo[1,2-a]pyridin-3-yl)-3-[1-[2-(difluoromethoxy)-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]phenyl]ethoxy]thiophene-2-carboxamide.

What is the SMILES notation for 5-(6-cyanoimidazo[1,2-a]pyridin-3-yl)-3-[1-[2-(difluoromethoxy)-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]phenyl]ethoxy]thiophene-2-carboxamide?

The canonical SMILES for 5-(6-cyanoimidazo[1,2-a]pyridin-3-yl)-3-[1-[2-(difluoromethoxy)-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]phenyl]ethoxy]thiophene-2-carboxamide is CC(Oc1cc(-c2cnc3ccc(C#N)cn23)sc1C(N)=O)c1ccc(CNC(C)(C)CO)cc1OC(F)F.

What is the InChIKey of 5-(6-cyanoimidazo[1,2-a]pyridin-3-yl)-3-[1-[2-(difluoromethoxy)-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]phenyl]ethoxy]thiophene-2-carboxamide?

The InChIKey is NRKXATXHTWRTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F2N5O4S/c1-15(18-6-4-16(8-20(18)38-26(28)29)11-33-27(2,3)14-35)37-21-9-22(39-24(21)25(31)36)19-12-32-23-7-5-17(10-30)13-34(19)23/h4-9,12-13,15,26,33,35H,11,14H2,1-3H3,(H2,31,36).

What are the key properties of 5-(6-cyanoimidazo[1,2-a]pyridin-3-yl)-3-[1-[2-(difluoromethoxy)-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]phenyl]ethoxy]thiophene-2-carboxamide?

5-(6-cyanoimidazo[1,2-a]pyridin-3-yl)-3-[1-[2-(difluoromethoxy)-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]phenyl]ethoxy]thiophene-2-carboxamide has a molecular weight of 555.61 g/mol, XLogP of 4.64, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(6-cyanoimidazo[1,2-a]pyridin-3-yl)-3-[1-[2-(difluoromethoxy)-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]phenyl]ethoxy]thiophene-2-carboxamide is sourced from PubChem (CID 67437345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).