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

C43H31F2N5O — CID 23537335

IUPAC2-fluoro-N-(3-fluoro-4-methylphenyl)-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESCc1ccc(NC(=O)c2ccc(-c3cnc4ccc(-c5cnn(C(c6ccccc6)(c6ccccc6)c6ccccc6)c5)cn34)cc2F)cc1F
InChIInChI=1S/C43H31F2N5O/c1-29-17-20-36(24-38(29)44)48-42(51)37-21-18-30(23-39(37)45)40-26-46-41-22-19-31(27-49(40)41)32-25-47-50(28-32)43(33-11-5-2-6-12-33,34-13-7-3-8-14-34)35-15-9-4-10-16-35/h2-28H,1H3,(H,48,51)
InChIKeyHAGILPZTYRNKQC-UHFFFAOYSA-N
MW671.75 g/mol
LogP9.54
Rot. Bonds8

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

2-fluoro-N-(3-fluoro-4-methylphenyl)-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide (PubChem CID 23537335) has the molecular formula C43H31F2N5O and a molecular weight of 671.75 g/mol. Its IUPAC name is 2-fluoro-N-(3-fluoro-4-methylphenyl)-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-(3-fluoro-4-methylphenyl)-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
PubChem CID23537335
Molecular FormulaC43H31F2N5O
Molecular Weight671.75 g/mol
Exact Mass671.25
IUPAC Name2-fluoro-N-(3-fluoro-4-methylphenyl)-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESCc1ccc(NC(=O)c2ccc(-c3cnc4ccc(-c5cnn(C(c6ccccc6)(c6ccccc6)c6ccccc6)c5)cn34)cc2F)cc1F
InChIInChI=1S/C43H31F2N5O/c1-29-17-20-36(24-38(29)44)48-42(51)37-21-18-30(23-39(37)45)40-26-46-41-22-19-31(27-49(40)41)32-25-47-50(28-32)43(33-11-5-2-6-12-33,34-13-7-3-8-14-34)35-15-9-4-10-16-35/h2-28H,1H3,(H,48,51)
InChIKeyHAGILPZTYRNKQC-UHFFFAOYSA-N
XLogP9.54
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.75
LogP ≤ 59.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-fluoro-N-(3-fluoro-4-methylphenyl)-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-fluoro-4-methylphenyl)-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?
The IUPAC name of 2-fluoro-N-(3-fluoro-4-methylphenyl)-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide (CID 23537335) is 2-fluoro-N-(3-fluoro-4-methylphenyl)-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-(3-fluoro-4-methylphenyl)-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?
The canonical SMILES for 2-fluoro-N-(3-fluoro-4-methylphenyl)-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide is Cc1ccc(NC(=O)c2ccc(-c3cnc4ccc(-c5cnn(C(c6ccccc6)(c6ccccc6)c6ccccc6)c5)cn34)cc2F)cc1F.
What is the InChIKey of 2-fluoro-N-(3-fluoro-4-methylphenyl)-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?
The InChIKey is HAGILPZTYRNKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31F2N5O/c1-29-17-20-36(24-38(29)44)48-42(51)37-21-18-30(23-39(37)45)40-26-46-41-22-19-31(27-49(40)41)32-25-47-50(28-32)43(33-11-5-2-6-12-33,34-13-7-3-8-14-34)35-15-9-4-10-16-35/h2-28H,1H3,(H,48,51).
What are the key properties of 2-fluoro-N-(3-fluoro-4-methylphenyl)-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?
2-fluoro-N-(3-fluoro-4-methylphenyl)-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide has a molecular weight of 671.75 g/mol, XLogP of 9.54, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3-fluoro-4-methylphenyl)-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide is sourced from PubChem (CID 23537335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).