3-hydroxy-N-[3-(1-methoxy-2-methylpropan-2-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-methylbutanamide

C17H23F3N4O3 — CID 130361213

About 3-hydroxy-N-[3-(1-methoxy-2-methylpropan-2-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-methylbutanamide

3-hydroxy-N-[3-(1-methoxy-2-methylpropan-2-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-methylbutanamide (PubChem CID 130361213) has the molecular formula C17H23F3N4O3 and a molecular weight of 388.39 g/mol. Its IUPAC name is 3-hydroxy-N-[3-(1-methoxy-2-methylpropan-2-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-methylbutanamide.

Molecular Properties

• Compound Name: 3-hydroxy-N-[3-(1-methoxy-2-methylpropan-2-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-methylbutanamide
• PubChem CID: 130361213
• Molecular Formula: C17H23F3N4O3
• Molecular Weight: 388.39 g/mol
• Exact Mass: 388.17
• IUPAC Name: 3-hydroxy-N-[3-(1-methoxy-2-methylpropan-2-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-methylbutanamide
• SMILES: COCC(C)(C)n1c(NC(=O)CC(C)(C)O)nc2ccc(C(F)(F)F)nc21
• InChI: InChI=1S/C17H23F3N4O3/c1-15(2,9-27-5)24-13-10(6-7-11(22-13)17(18,19)20)21-14(24)23-12(25)8-16(3,4)26/h6-7,26H,8-9H2,1-5H3,(H,21,23,25)
• InChIKey: AVCPLSPVOCFZBI-UHFFFAOYSA-N
• XLogP: 2.93
• TPSA: 89.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.39
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[3-(1-methoxy-2-methylpropan-2-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-methylbutanamide?

The IUPAC name of 3-hydroxy-N-[3-(1-methoxy-2-methylpropan-2-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-methylbutanamide (CID 130361213) is 3-hydroxy-N-[3-(1-methoxy-2-methylpropan-2-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-methylbutanamide.

What is the SMILES notation for 3-hydroxy-N-[3-(1-methoxy-2-methylpropan-2-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-methylbutanamide?

The canonical SMILES for 3-hydroxy-N-[3-(1-methoxy-2-methylpropan-2-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-methylbutanamide is COCC(C)(C)n1c(NC(=O)CC(C)(C)O)nc2ccc(C(F)(F)F)nc21.

What is the InChIKey of 3-hydroxy-N-[3-(1-methoxy-2-methylpropan-2-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-methylbutanamide?

The InChIKey is AVCPLSPVOCFZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N4O3/c1-15(2,9-27-5)24-13-10(6-7-11(22-13)17(18,19)20)21-14(24)23-12(25)8-16(3,4)26/h6-7,26H,8-9H2,1-5H3,(H,21,23,25).

What are the key properties of 3-hydroxy-N-[3-(1-methoxy-2-methylpropan-2-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-methylbutanamide?

3-hydroxy-N-[3-(1-methoxy-2-methylpropan-2-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-methylbutanamide has a molecular weight of 388.39 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-hydroxy-N-[3-(1-methoxy-2-methylpropan-2-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-methylbutanamide is sourced from PubChem (CID 130361213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).