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

C41H28ClFN6O — CID 23537770

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

N-(6-chloro-3-pyridinyl)-2-fluoro-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide (PubChem CID 23537770) has the molecular formula C41H28ClFN6O and a molecular weight of 675.17 g/mol. Its IUPAC name is N-(6-chloro-3-pyridinyl)-2-fluoro-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide.

Molecular Properties

• Compound Name: N-(6-chloro-3-pyridinyl)-2-fluoro-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
• PubChem CID: 23537770
• Molecular Formula: C41H28ClFN6O
• Molecular Weight: 675.17 g/mol
• Exact Mass: 674.20
• IUPAC Name: N-(6-chloro-3-pyridinyl)-2-fluoro-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
• SMILES: O=C(Nc1ccc(Cl)nc1)c1ccc(-c2cnc3ccc(-c4cnn(C(c5ccccc5)(c5ccccc5)c5ccccc5)c4)cn23)cc1F
• InChI: InChI=1S/C41H28ClFN6O/c42-38-20-18-34(24-44-38)47-40(50)35-19-16-28(22-36(35)43)37-25-45-39-21-17-29(26-48(37)39)30-23-46-49(27-30)41(31-10-4-1-5-11-31,32-12-6-2-7-13-32)33-14-8-3-9-15-33/h1-27H,(H,47,50)
• InChIKey: VXWIJIJUYQFWKZ-UHFFFAOYSA-N
• XLogP: 9.14
• TPSA: 77.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	675.17
LogP ≤ 5	9.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N-(6-chloro-3-pyridinyl)-2-fluoro-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide (CID 23537770) is N-(6-chloro-3-pyridinyl)-2-fluoro-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide.

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

The canonical SMILES for N-(6-chloro-3-pyridinyl)-2-fluoro-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide is O=C(Nc1ccc(Cl)nc1)c1ccc(-c2cnc3ccc(-c4cnn(C(c5ccccc5)(c5ccccc5)c5ccccc5)c4)cn23)cc1F.

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

The InChIKey is VXWIJIJUYQFWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28ClFN6O/c42-38-20-18-34(24-44-38)47-40(50)35-19-16-28(22-36(35)43)37-25-45-39-21-17-29(26-48(37)39)30-23-46-49(27-30)41(31-10-4-1-5-11-31,32-12-6-2-7-13-32)33-14-8-3-9-15-33/h1-27H,(H,47,50).

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

N-(6-chloro-3-pyridinyl)-2-fluoro-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide has a molecular weight of 675.17 g/mol, XLogP of 9.14, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-chloro-3-pyridinyl)-2-fluoro-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide is sourced from PubChem (CID 23537770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).