6-methyl-2-pyridin-2-yl-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]quinoline-4-carboxamide

C26H17F4N5O — CID 2965391

About 6-methyl-2-pyridin-2-yl-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]quinoline-4-carboxamide

6-methyl-2-pyridin-2-yl-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]quinoline-4-carboxamide (PubChem CID 2965391) has the molecular formula C26H17F4N5O and a molecular weight of 491.45 g/mol. Its IUPAC name is 6-methyl-2-pyridin-2-yl-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]quinoline-4-carboxamide.

Molecular Properties

• Compound Name: 6-methyl-2-pyridin-2-yl-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]quinoline-4-carboxamide
• PubChem CID: 2965391
• Molecular Formula: C26H17F4N5O
• Molecular Weight: 491.45 g/mol
• Exact Mass: 491.14
• IUPAC Name: 6-methyl-2-pyridin-2-yl-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]quinoline-4-carboxamide
• SMILES: Cc1ccc2nc(-c3ccccn3)cc(C(=O)Nc3ccn(Cc4c(F)c(F)cc(F)c4F)n3)c2c1
• InChI: InChI=1S/C26H17F4N5O/c1-14-5-6-20-15(10-14)16(11-22(32-20)21-4-2-3-8-31-21)26(36)33-23-7-9-35(34-23)13-17-24(29)18(27)12-19(28)25(17)30/h2-12H,13H2,1H3,(H,33,34,36)
• InChIKey: WWLTUEGKKPSNGL-UHFFFAOYSA-N
• XLogP: 5.66
• TPSA: 72.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.45
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-pyridin-2-yl-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]quinoline-4-carboxamide?

The IUPAC name of 6-methyl-2-pyridin-2-yl-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]quinoline-4-carboxamide (CID 2965391) is 6-methyl-2-pyridin-2-yl-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]quinoline-4-carboxamide.

What is the SMILES notation for 6-methyl-2-pyridin-2-yl-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]quinoline-4-carboxamide?

The canonical SMILES for 6-methyl-2-pyridin-2-yl-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]quinoline-4-carboxamide is Cc1ccc2nc(-c3ccccn3)cc(C(=O)Nc3ccn(Cc4c(F)c(F)cc(F)c4F)n3)c2c1.

What is the InChIKey of 6-methyl-2-pyridin-2-yl-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]quinoline-4-carboxamide?

The InChIKey is WWLTUEGKKPSNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F4N5O/c1-14-5-6-20-15(10-14)16(11-22(32-20)21-4-2-3-8-31-21)26(36)33-23-7-9-35(34-23)13-17-24(29)18(27)12-19(28)25(17)30/h2-12H,13H2,1H3,(H,33,34,36).

What are the key properties of 6-methyl-2-pyridin-2-yl-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]quinoline-4-carboxamide?

6-methyl-2-pyridin-2-yl-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]quinoline-4-carboxamide has a molecular weight of 491.45 g/mol, XLogP of 5.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-2-pyridin-2-yl-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]quinoline-4-carboxamide is sourced from PubChem (CID 2965391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).