(7R)-7-amino-3-(3-phenylimidazo[1,2-a]pyridin-6-yl)-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C26H19F3N6O — CID 170024725

About (7R)-7-amino-3-(3-phenylimidazo[1,2-a]pyridin-6-yl)-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

(7R)-7-amino-3-(3-phenylimidazo[1,2-a]pyridin-6-yl)-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 170024725) has the molecular formula C26H19F3N6O and a molecular weight of 488.47 g/mol. Its IUPAC name is (7R)-7-amino-3-(3-phenylimidazo[1,2-a]pyridin-6-yl)-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

• Compound Name: (7R)-7-amino-3-(3-phenylimidazo[1,2-a]pyridin-6-yl)-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
• PubChem CID: 170024725
• Molecular Formula: C26H19F3N6O
• Molecular Weight: 488.47 g/mol
• Exact Mass: 488.16
• IUPAC Name: (7R)-7-amino-3-(3-phenylimidazo[1,2-a]pyridin-6-yl)-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
• SMILES: N[C@H]1CN(c2ccc(C(F)(F)F)cc2)C(=O)c2c(-c3ccc4ncc(-c5ccccc5)n4c3)cnn21
• InChI: InChI=1S/C26H19F3N6O/c27-26(28,29)18-7-9-19(10-8-18)33-15-22(30)35-24(25(33)36)20(12-32-35)17-6-11-23-31-13-21(34(23)14-17)16-4-2-1-3-5-16/h1-14,22H,15,30H2/t22-/m1/s1
• InChIKey: LDYGEQBKUDRVGS-JOCHJYFZSA-N
• XLogP: 5.00
• TPSA: 81.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.47
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (7R)-7-amino-3-(3-phenylimidazo[1,2-a]pyridin-6-yl)-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

The IUPAC name of (7R)-7-amino-3-(3-phenylimidazo[1,2-a]pyridin-6-yl)-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 170024725) is (7R)-7-amino-3-(3-phenylimidazo[1,2-a]pyridin-6-yl)-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

What is the SMILES notation for (7R)-7-amino-3-(3-phenylimidazo[1,2-a]pyridin-6-yl)-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

The canonical SMILES for (7R)-7-amino-3-(3-phenylimidazo[1,2-a]pyridin-6-yl)-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is N[C@H]1CN(c2ccc(C(F)(F)F)cc2)C(=O)c2c(-c3ccc4ncc(-c5ccccc5)n4c3)cnn21.

What is the InChIKey of (7R)-7-amino-3-(3-phenylimidazo[1,2-a]pyridin-6-yl)-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

The InChIKey is LDYGEQBKUDRVGS-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H19F3N6O/c27-26(28,29)18-7-9-19(10-8-18)33-15-22(30)35-24(25(33)36)20(12-32-35)17-6-11-23-31-13-21(34(23)14-17)16-4-2-1-3-5-16/h1-14,22H,15,30H2/t22-/m1/s1.

What are the key properties of (7R)-7-amino-3-(3-phenylimidazo[1,2-a]pyridin-6-yl)-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

(7R)-7-amino-3-(3-phenylimidazo[1,2-a]pyridin-6-yl)-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 488.47 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-7-amino-3-(3-phenylimidazo[1,2-a]pyridin-6-yl)-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 170024725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).