[5,7-diethyl-2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(4-pyrazol-1-yl-2-pyridinyl)methanone

C26H25F3N6O — CID 146491764

About [5,7-diethyl-2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(4-pyrazol-1-yl-2-pyridinyl)methanone

[5,7-diethyl-2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(4-pyrazol-1-yl-2-pyridinyl)methanone (PubChem CID 146491764) has the molecular formula C26H25F3N6O and a molecular weight of 494.52 g/mol. Its IUPAC name is [5,7-diethyl-2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(4-pyrazol-1-yl-2-pyridinyl)methanone.

Molecular Properties

• Compound Name: [5,7-diethyl-2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(4-pyrazol-1-yl-2-pyridinyl)methanone
• PubChem CID: 146491764
• Molecular Formula: C26H25F3N6O
• Molecular Weight: 494.52 g/mol
• Exact Mass: 494.20
• IUPAC Name: [5,7-diethyl-2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(4-pyrazol-1-yl-2-pyridinyl)methanone
• SMILES: CCC1Cc2c(nn(C)c2-c2cc(F)c(F)c(F)c2)C(CC)N1C(=O)c1cc(-n2cccn2)ccn1
• InChI: InChI=1S/C26H25F3N6O/c1-4-16-13-18-24(32-33(3)25(18)15-11-19(27)23(29)20(28)12-15)22(5-2)35(16)26(36)21-14-17(7-9-30-21)34-10-6-8-31-34/h6-12,14,16,22H,4-5,13H2,1-3H3
• InChIKey: ASEQVUSGIWCPSM-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 68.84 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.52
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [5,7-diethyl-2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(4-pyrazol-1-yl-2-pyridinyl)methanone?

The IUPAC name of [5,7-diethyl-2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(4-pyrazol-1-yl-2-pyridinyl)methanone (CID 146491764) is [5,7-diethyl-2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(4-pyrazol-1-yl-2-pyridinyl)methanone.

What is the SMILES notation for [5,7-diethyl-2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(4-pyrazol-1-yl-2-pyridinyl)methanone?

The canonical SMILES for [5,7-diethyl-2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(4-pyrazol-1-yl-2-pyridinyl)methanone is CCC1Cc2c(nn(C)c2-c2cc(F)c(F)c(F)c2)C(CC)N1C(=O)c1cc(-n2cccn2)ccn1.

What is the InChIKey of [5,7-diethyl-2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(4-pyrazol-1-yl-2-pyridinyl)methanone?

The InChIKey is ASEQVUSGIWCPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N6O/c1-4-16-13-18-24(32-33(3)25(18)15-11-19(27)23(29)20(28)12-15)22(5-2)35(16)26(36)21-14-17(7-9-30-21)34-10-6-8-31-34/h6-12,14,16,22H,4-5,13H2,1-3H3.

What are the key properties of [5,7-diethyl-2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(4-pyrazol-1-yl-2-pyridinyl)methanone?

[5,7-diethyl-2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(4-pyrazol-1-yl-2-pyridinyl)methanone has a molecular weight of 494.52 g/mol, XLogP of 5.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [5,7-diethyl-2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(4-pyrazol-1-yl-2-pyridinyl)methanone is sourced from PubChem (CID 146491764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).