N-(2,3-difluorophenyl)-2-fluoro-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide

C42H28F3N5O — CID 23537705

About N-(2,3-difluorophenyl)-2-fluoro-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide

N-(2,3-difluorophenyl)-2-fluoro-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide (PubChem CID 23537705) has the molecular formula C42H28F3N5O and a molecular weight of 675.71 g/mol. Its IUPAC name is N-(2,3-difluorophenyl)-2-fluoro-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide.

Molecular Properties

• Compound Name: N-(2,3-difluorophenyl)-2-fluoro-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
• PubChem CID: 23537705
• Molecular Formula: C42H28F3N5O
• Molecular Weight: 675.71 g/mol
• Exact Mass: 675.22
• IUPAC Name: N-(2,3-difluorophenyl)-2-fluoro-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
• SMILES: O=C(Nc1cccc(F)c1F)c1ccc(-c2cnc3ccc(-c4cnn(C(c5ccccc5)(c5ccccc5)c5ccccc5)c4)cn23)cc1F
• InChI: InChI=1S/C42H28F3N5O/c43-35-17-10-18-37(40(35)45)48-41(51)34-21-19-28(23-36(34)44)38-25-46-39-22-20-29(26-49(38)39)30-24-47-50(27-30)42(31-11-4-1-5-12-31,32-13-6-2-7-14-32)33-15-8-3-9-16-33/h1-27H,(H,48,51)
• InChIKey: CZNHVWUOCLYPBU-UHFFFAOYSA-N
• XLogP: 9.37
• TPSA: 64.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	675.71
LogP ≤ 5	9.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2,3-difluorophenyl)-2-fluoro-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?

The IUPAC name of N-(2,3-difluorophenyl)-2-fluoro-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide (CID 23537705) is N-(2,3-difluorophenyl)-2-fluoro-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide.

What is the SMILES notation for N-(2,3-difluorophenyl)-2-fluoro-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?

The canonical SMILES for N-(2,3-difluorophenyl)-2-fluoro-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide is O=C(Nc1cccc(F)c1F)c1ccc(-c2cnc3ccc(-c4cnn(C(c5ccccc5)(c5ccccc5)c5ccccc5)c4)cn23)cc1F.

What is the InChIKey of N-(2,3-difluorophenyl)-2-fluoro-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?

The InChIKey is CZNHVWUOCLYPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28F3N5O/c43-35-17-10-18-37(40(35)45)48-41(51)34-21-19-28(23-36(34)44)38-25-46-39-22-20-29(26-49(38)39)30-24-47-50(27-30)42(31-11-4-1-5-12-31,32-13-6-2-7-14-32)33-15-8-3-9-16-33/h1-27H,(H,48,51).

What are the key properties of N-(2,3-difluorophenyl)-2-fluoro-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?

N-(2,3-difluorophenyl)-2-fluoro-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide has a molecular weight of 675.71 g/mol, XLogP of 9.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-difluorophenyl)-2-fluoro-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide is sourced from PubChem (CID 23537705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).