carbanide;ethane;[4-[2-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]azanide;tungsten;yttrium

C21H23N5WY-2 — CID 159407397

About carbanide;ethane;[4-[2-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]azanide;tungsten;yttrium

carbanide;ethane;[4-[2-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]azanide;tungsten;yttrium (PubChem CID 159407397) has the molecular formula C21H23N5WY-2 and a molecular weight of 618.20 g/mol. Its IUPAC name is carbanide;ethane;[4-[2-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]azanide;tungsten;yttrium.

Molecular Properties

• Compound Name: carbanide;ethane;[4-[2-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]azanide;tungsten;yttrium
• PubChem CID: 159407397
• Molecular Formula: C21H23N5WY-2
• Molecular Weight: 618.20 g/mol
• Exact Mass: 618.05
• IUPAC Name: carbanide;ethane;[4-[2-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]azanide;tungsten;yttrium
• SMILES: CC.Cc1cccc(-c2nc3ccccn3c2-c2ccnc([NH-])n2)c1.[CH3-].[W].[Y]
• InChI: InChI=1S/C18H14N5.C2H6.CH3.W.Y/c1-12-5-4-6-13(11-12)16-17(14-8-9-20-18(19)21-14)23-10-3-2-7-15(23)22-16;1-2;;;/h2-11H,1H3,(H-,19,20,21);1-2H3;1H3;;/q-1;;-1
• InChIKey: LIFMRFXJKQNJEY-UHFFFAOYSA-N
• XLogP: 5.92
• TPSA: 66.88 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	618.20
LogP ≤ 5	5.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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-[2-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]azanide;tungsten;yttrium?

The IUPAC name of carbanide;ethane;[4-[2-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]azanide;tungsten;yttrium (CID 159407397) is carbanide;ethane;[4-[2-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]azanide;tungsten;yttrium.

What is the SMILES notation for carbanide;ethane;[4-[2-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]azanide;tungsten;yttrium?

The canonical SMILES for carbanide;ethane;[4-[2-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]azanide;tungsten;yttrium is CC.Cc1cccc(-c2nc3ccccn3c2-c2ccnc([NH-])n2)c1.[CH3-].[W].[Y].

What is the InChIKey of carbanide;ethane;[4-[2-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]azanide;tungsten;yttrium?

The InChIKey is LIFMRFXJKQNJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N5.C2H6.CH3.W.Y/c1-12-5-4-6-13(11-12)16-17(14-8-9-20-18(19)21-14)23-10-3-2-7-15(23)22-16;1-2;;;/h2-11H,1H3,(H-,19,20,21);1-2H3;1H3;;/q-1;;-1;;.

What are the key properties of carbanide;ethane;[4-[2-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]azanide;tungsten;yttrium?

carbanide;ethane;[4-[2-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]azanide;tungsten;yttrium has a molecular weight of 618.20 g/mol, XLogP of 5.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;ethane;[4-[2-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]azanide;tungsten;yttrium is sourced from PubChem (CID 159407397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).