carbanide;ethane;4-hydroxy-1-methyl-5-(2-methylphenyl)-7-(2,2,2-trifluoroethyl)pyrazolo[5,4-b]pyridin-6-one;yttrium

C19H23F3N3O2Y- — CID 161325462

About carbanide;ethane;4-hydroxy-1-methyl-5-(2-methylphenyl)-7-(2,2,2-trifluoroethyl)pyrazolo[5,4-b]pyridin-6-one;yttrium

carbanide;ethane;4-hydroxy-1-methyl-5-(2-methylphenyl)-7-(2,2,2-trifluoroethyl)pyrazolo[5,4-b]pyridin-6-one;yttrium (PubChem CID 161325462) has the molecular formula C19H23F3N3O2Y- and a molecular weight of 471.31 g/mol. Its IUPAC name is carbanide;ethane;4-hydroxy-1-methyl-5-(2-methylphenyl)-7-(2,2,2-trifluoroethyl)pyrazolo[5,4-b]pyridin-6-one;yttrium.

Molecular Properties

• Compound Name: carbanide;ethane;4-hydroxy-1-methyl-5-(2-methylphenyl)-7-(2,2,2-trifluoroethyl)pyrazolo[5,4-b]pyridin-6-one;yttrium
• PubChem CID: 161325462
• Molecular Formula: C19H23F3N3O2Y-
• Molecular Weight: 471.31 g/mol
• Exact Mass: 471.08
• IUPAC Name: carbanide;ethane;4-hydroxy-1-methyl-5-(2-methylphenyl)-7-(2,2,2-trifluoroethyl)pyrazolo[5,4-b]pyridin-6-one;yttrium
• SMILES: CC.Cc1ccccc1-c1c(O)c2cnn(C)c2n(CC(F)(F)F)c1=O.[CH3-].[Y]
• InChI: InChI=1S/C16H14F3N3O2.C2H6.CH3.Y/c1-9-5-3-4-6-10(9)12-13(23)11-7-20-21(2)14(11)22(15(12)24)8-16(17,18)19;1-2;;/h3-7,23H,8H2,1-2H3;1-2H3;1H3;/q;;-1
• InChIKey: PJWYGUJNECLFOS-UHFFFAOYSA-N
• XLogP: 4.45
• TPSA: 60.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.31
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of carbanide;ethane;4-hydroxy-1-methyl-5-(2-methylphenyl)-7-(2,2,2-trifluoroethyl)pyrazolo[5,4-b]pyridin-6-one;yttrium?

The IUPAC name of carbanide;ethane;4-hydroxy-1-methyl-5-(2-methylphenyl)-7-(2,2,2-trifluoroethyl)pyrazolo[5,4-b]pyridin-6-one;yttrium (CID 161325462) is carbanide;ethane;4-hydroxy-1-methyl-5-(2-methylphenyl)-7-(2,2,2-trifluoroethyl)pyrazolo[5,4-b]pyridin-6-one;yttrium.

What is the SMILES notation for carbanide;ethane;4-hydroxy-1-methyl-5-(2-methylphenyl)-7-(2,2,2-trifluoroethyl)pyrazolo[5,4-b]pyridin-6-one;yttrium?

The canonical SMILES for carbanide;ethane;4-hydroxy-1-methyl-5-(2-methylphenyl)-7-(2,2,2-trifluoroethyl)pyrazolo[5,4-b]pyridin-6-one;yttrium is CC.Cc1ccccc1-c1c(O)c2cnn(C)c2n(CC(F)(F)F)c1=O.[CH3-].[Y].

What is the InChIKey of carbanide;ethane;4-hydroxy-1-methyl-5-(2-methylphenyl)-7-(2,2,2-trifluoroethyl)pyrazolo[5,4-b]pyridin-6-one;yttrium?

The InChIKey is PJWYGUJNECLFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O2.C2H6.CH3.Y/c1-9-5-3-4-6-10(9)12-13(23)11-7-20-21(2)14(11)22(15(12)24)8-16(17,18)19;1-2;;/h3-7,23H,8H2,1-2H3;1-2H3;1H3;/q;;-1;.

What are the key properties of carbanide;ethane;4-hydroxy-1-methyl-5-(2-methylphenyl)-7-(2,2,2-trifluoroethyl)pyrazolo[5,4-b]pyridin-6-one;yttrium?

carbanide;ethane;4-hydroxy-1-methyl-5-(2-methylphenyl)-7-(2,2,2-trifluoroethyl)pyrazolo[5,4-b]pyridin-6-one;yttrium has a molecular weight of 471.31 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;ethane;4-hydroxy-1-methyl-5-(2-methylphenyl)-7-(2,2,2-trifluoroethyl)pyrazolo[5,4-b]pyridin-6-one;yttrium is sourced from PubChem (CID 161325462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).