(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-[5-ethyl-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone

C26H26F3N5O — CID 146480859

About (2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-[5-ethyl-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone

(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-[5-ethyl-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone (PubChem CID 146480859) has the molecular formula C26H26F3N5O and a molecular weight of 481.52 g/mol. Its IUPAC name is (2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-[5-ethyl-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone.

Molecular Properties

• Compound Name: (2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-[5-ethyl-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
• PubChem CID: 146480859
• Molecular Formula: C26H26F3N5O
• Molecular Weight: 481.52 g/mol
• Exact Mass: 481.21
• IUPAC Name: (2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-[5-ethyl-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
• SMILES: CCC1Cc2c(nn(C)c2-c2cc(F)c(F)c(F)c2)C(C)N1C(=O)c1c(C)nc2ccc(C)cn12
• InChI: InChI=1S/C26H26F3N5O/c1-6-17-11-18-23(31-32(5)25(18)16-9-19(27)22(29)20(28)10-16)15(4)34(17)26(35)24-14(3)30-21-8-7-13(2)12-33(21)24/h7-10,12,15,17H,6,11H2,1-5H3
• InChIKey: SSYUUKDBRZQHIC-UHFFFAOYSA-N
• XLogP: 5.31
• TPSA: 55.43 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.52
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-[5-ethyl-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone?

The IUPAC name of (2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-[5-ethyl-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone (CID 146480859) is (2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-[5-ethyl-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone.

What is the SMILES notation for (2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-[5-ethyl-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone?

The canonical SMILES for (2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-[5-ethyl-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone is CCC1Cc2c(nn(C)c2-c2cc(F)c(F)c(F)c2)C(C)N1C(=O)c1c(C)nc2ccc(C)cn12.

What is the InChIKey of (2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-[5-ethyl-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone?

The InChIKey is SSYUUKDBRZQHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N5O/c1-6-17-11-18-23(31-32(5)25(18)16-9-19(27)22(29)20(28)10-16)15(4)34(17)26(35)24-14(3)30-21-8-7-13(2)12-33(21)24/h7-10,12,15,17H,6,11H2,1-5H3.

What are the key properties of (2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-[5-ethyl-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone?

(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-[5-ethyl-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone has a molecular weight of 481.52 g/mol, XLogP of 5.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-[5-ethyl-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone is sourced from PubChem (CID 146480859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).