2-fluoro-N-(5-methyl-1,3-thiazol-2-yl)-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide

C40H29FN6OS — CID 23537357

IUPAC2-fluoro-N-(5-methyl-1,3-thiazol-2-yl)-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESCc1cnc(NC(=O)c2ccc(-c3cnc4ccc(-c5cnn(C(c6ccccc6)(c6ccccc6)c6ccccc6)c5)cn34)cc2F)s1
InChIInChI=1S/C40H29FN6OS/c1-27-22-43-39(49-27)45-38(48)34-19-17-28(21-35(34)41)36-24-42-37-20-18-29(25-46(36)37)30-23-44-47(26-30)40(31-11-5-2-6-12-31,32-13-7-3-8-14-32)33-15-9-4-10-16-33/h2-26H,1H3,(H,43,45,48)
InChIKeyFYDIXVFICSVHBR-UHFFFAOYSA-N
MW660.78 g/mol
LogP8.86
Rot. Bonds8

About 2-fluoro-N-(5-methyl-1,3-thiazol-2-yl)-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide

2-fluoro-N-(5-methyl-1,3-thiazol-2-yl)-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide (PubChem CID 23537357) has the molecular formula C40H29FN6OS and a molecular weight of 660.78 g/mol. Its IUPAC name is 2-fluoro-N-(5-methyl-1,3-thiazol-2-yl)-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-(5-methyl-1,3-thiazol-2-yl)-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
PubChem CID23537357
Molecular FormulaC40H29FN6OS
Molecular Weight660.78 g/mol
Exact Mass660.21
IUPAC Name2-fluoro-N-(5-methyl-1,3-thiazol-2-yl)-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESCc1cnc(NC(=O)c2ccc(-c3cnc4ccc(-c5cnn(C(c6ccccc6)(c6ccccc6)c6ccccc6)c5)cn34)cc2F)s1
InChIInChI=1S/C40H29FN6OS/c1-27-22-43-39(49-27)45-38(48)34-19-17-28(21-35(34)41)36-24-42-37-20-18-29(25-46(36)37)30-23-44-47(26-30)40(31-11-5-2-6-12-31,32-13-7-3-8-14-32)33-15-9-4-10-16-33/h2-26H,1H3,(H,43,45,48)
InChIKeyFYDIXVFICSVHBR-UHFFFAOYSA-N
XLogP8.86
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.78
LogP ≤ 58.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(5-methyl-1,3-thiazol-2-yl)-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?
The IUPAC name of 2-fluoro-N-(5-methyl-1,3-thiazol-2-yl)-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide (CID 23537357) is 2-fluoro-N-(5-methyl-1,3-thiazol-2-yl)-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-(5-methyl-1,3-thiazol-2-yl)-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?
The canonical SMILES for 2-fluoro-N-(5-methyl-1,3-thiazol-2-yl)-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide is Cc1cnc(NC(=O)c2ccc(-c3cnc4ccc(-c5cnn(C(c6ccccc6)(c6ccccc6)c6ccccc6)c5)cn34)cc2F)s1.
What is the InChIKey of 2-fluoro-N-(5-methyl-1,3-thiazol-2-yl)-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?
The InChIKey is FYDIXVFICSVHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H29FN6OS/c1-27-22-43-39(49-27)45-38(48)34-19-17-28(21-35(34)41)36-24-42-37-20-18-29(25-46(36)37)30-23-44-47(26-30)40(31-11-5-2-6-12-31,32-13-7-3-8-14-32)33-15-9-4-10-16-33/h2-26H,1H3,(H,43,45,48).
What are the key properties of 2-fluoro-N-(5-methyl-1,3-thiazol-2-yl)-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?
2-fluoro-N-(5-methyl-1,3-thiazol-2-yl)-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide has a molecular weight of 660.78 g/mol, XLogP of 8.86, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(5-methyl-1,3-thiazol-2-yl)-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide is sourced from PubChem (CID 23537357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).