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

C42H28ClF2N5O — CID 23537750

IUPACN-(4-chloro-2-fluorophenyl)-2-fluoro-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESO=C(Nc1ccc(Cl)cc1F)c1ccc(-c2cnc3ccc(-c4cnn(C(c5ccccc5)(c5ccccc5)c5ccccc5)c4)cn23)cc1F
InChIInChI=1S/C42H28ClF2N5O/c43-34-18-20-38(37(45)23-34)48-41(51)35-19-16-28(22-36(35)44)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)
InChIKeyHPTCXJOBRUMFIJ-UHFFFAOYSA-N
MW692.17 g/mol
LogP9.89
Rot. Bonds8

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

N-(4-chloro-2-fluorophenyl)-2-fluoro-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide (PubChem CID 23537750) has the molecular formula C42H28ClF2N5O and a molecular weight of 692.17 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-2-fluoro-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-2-fluoro-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
PubChem CID23537750
Molecular FormulaC42H28ClF2N5O
Molecular Weight692.17 g/mol
Exact Mass691.20
IUPAC NameN-(4-chloro-2-fluorophenyl)-2-fluoro-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESO=C(Nc1ccc(Cl)cc1F)c1ccc(-c2cnc3ccc(-c4cnn(C(c5ccccc5)(c5ccccc5)c5ccccc5)c4)cn23)cc1F
InChIInChI=1S/C42H28ClF2N5O/c43-34-18-20-38(37(45)23-34)48-41(51)35-19-16-28(22-36(35)44)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)
InChIKeyHPTCXJOBRUMFIJ-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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Related Compounds

N-(6-chloro-3-pyridinyl)-2-fluoro-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 23537770
2-fluoro-N-(3-methylsulfonylphenyl)-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 23537339
2-fluoro-N-methyl-4-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 71084294
N-(5-chloro-2-pyridinyl)-2-fluoro-4-imidazo[1,2-a]pyridin-3-ylbenzamide
CID 10294569
2-[(4-fluorophenyl)methyl]-5-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3H-isoindol-1-one
CID 22032460
N-(4-chloro-2-fluorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 24672239
2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-(1,3-thiazol-2-yl)benzamide;dihydrochloride
CID 87901707
N-(4-chloro-2-fluorophenyl)-2,4-difluorobenzamide
CID 2572466
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-fluoro-4-[6-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;dihydrochloride
CID 68812081
2-fluoro-4-[6-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-(4-methyl-2-pyridinyl)benzamide
CID 23537310
2-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]-4-[6-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;hydrochloride
CID 68811472
N-[1-(3,4-difluorophenyl)cyclopropyl]-2-fluoro-N-methyl-4-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 71017479

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-2-fluoro-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-2-fluoro-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide (CID 23537750) is N-(4-chloro-2-fluorophenyl)-2-fluoro-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-2-fluoro-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-2-fluoro-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide is O=C(Nc1ccc(Cl)cc1F)c1ccc(-c2cnc3ccc(-c4cnn(C(c5ccccc5)(c5ccccc5)c5ccccc5)c4)cn23)cc1F.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-2-fluoro-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?
The InChIKey is HPTCXJOBRUMFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28ClF2N5O/c43-34-18-20-38(37(45)23-34)48-41(51)35-19-16-28(22-36(35)44)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 N-(4-chloro-2-fluorophenyl)-2-fluoro-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?
N-(4-chloro-2-fluorophenyl)-2-fluoro-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 N-(4-chloro-2-fluorophenyl)-2-fluoro-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide is sourced from PubChem (CID 23537750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).