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

C42H28ClF2N5O — CID 23537284

IUPAC2-chloro-N-(2,4-difluorophenyl)-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccc(-c2cnc3ccc(-c4cnn(C(c5ccccc5)(c5ccccc5)c5ccccc5)c4)cn23)cc1Cl
InChIInChI=1S/C42H28ClF2N5O/c43-36-22-28(16-19-35(36)41(51)48-38-20-18-34(44)23-37(38)45)39-25-46-40-21-17-29(26-49(39)40)30-24-47-50(27-30)42(31-10-4-1-5-11-31,32-12-6-2-7-13-32)33-14-8-3-9-15-33/h1-27H,(H,48,51)
InChIKeyQRUUQRUUQCTADA-UHFFFAOYSA-N
MW692.17 g/mol
LogP9.89
Rot. Bonds8

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

2-chloro-N-(2,4-difluorophenyl)-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide (PubChem CID 23537284) has the molecular formula C42H28ClF2N5O and a molecular weight of 692.17 g/mol. Its IUPAC name is 2-chloro-N-(2,4-difluorophenyl)-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-(2,4-difluorophenyl)-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
PubChem CID23537284
Molecular FormulaC42H28ClF2N5O
Molecular Weight692.17 g/mol
Exact Mass691.20
IUPAC Name2-chloro-N-(2,4-difluorophenyl)-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccc(-c2cnc3ccc(-c4cnn(C(c5ccccc5)(c5ccccc5)c5ccccc5)c4)cn23)cc1Cl
InChIInChI=1S/C42H28ClF2N5O/c43-36-22-28(16-19-35(36)41(51)48-38-20-18-34(44)23-37(38)45)39-25-46-40-21-17-29(26-49(39)40)30-24-47-50(27-30)42(31-10-4-1-5-11-31,32-12-6-2-7-13-32)33-14-8-3-9-15-33/h1-27H,(H,48,51)
InChIKeyQRUUQRUUQCTADA-UHFFFAOYSA-N
XLogP9.89
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.17
LogP ≤ 59.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-chloro-N-(2,4-difluorophenyl)-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?
The IUPAC name of 2-chloro-N-(2,4-difluorophenyl)-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide (CID 23537284) is 2-chloro-N-(2,4-difluorophenyl)-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide.
What is the SMILES notation for 2-chloro-N-(2,4-difluorophenyl)-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?
The canonical SMILES for 2-chloro-N-(2,4-difluorophenyl)-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide is O=C(Nc1ccc(F)cc1F)c1ccc(-c2cnc3ccc(-c4cnn(C(c5ccccc5)(c5ccccc5)c5ccccc5)c4)cn23)cc1Cl.
What is the InChIKey of 2-chloro-N-(2,4-difluorophenyl)-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?
The InChIKey is QRUUQRUUQCTADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28ClF2N5O/c43-36-22-28(16-19-35(36)41(51)48-38-20-18-34(44)23-37(38)45)39-25-46-40-21-17-29(26-49(39)40)30-24-47-50(27-30)42(31-10-4-1-5-11-31,32-12-6-2-7-13-32)33-14-8-3-9-15-33/h1-27H,(H,48,51).
What are the key properties of 2-chloro-N-(2,4-difluorophenyl)-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?
2-chloro-N-(2,4-difluorophenyl)-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide has a molecular weight of 692.17 g/mol, XLogP of 9.89, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,4-difluorophenyl)-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide is sourced from PubChem (CID 23537284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).