N-[cyano-(2-fluorophenyl)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide

C23H17FN4OS — CID 56572139

IUPACN-[cyano-(2-fluorophenyl)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
SMILESN#CC(NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1)c1ccccc1F
InChIInChI=1S/C23H17FN4OS/c24-20-6-2-1-5-19(20)21(13-25)27-23(29)16-8-10-18(11-9-16)30-15-17-14-28-12-4-3-7-22(28)26-17/h1-12,14,21H,15H2,(H,27,29)
InChIKeyTZUFUIIDFYKHCM-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.76
Rot. Bonds6

About N-[cyano-(2-fluorophenyl)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide

N-[cyano-(2-fluorophenyl)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide (PubChem CID 56572139) has the molecular formula C23H17FN4OS and a molecular weight of 416.48 g/mol. Its IUPAC name is N-[cyano-(2-fluorophenyl)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-[cyano-(2-fluorophenyl)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
PubChem CID56572139
Molecular FormulaC23H17FN4OS
Molecular Weight416.48 g/mol
Exact Mass416.11
IUPAC NameN-[cyano-(2-fluorophenyl)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
SMILESN#CC(NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1)c1ccccc1F
InChIInChI=1S/C23H17FN4OS/c24-20-6-2-1-5-19(20)21(13-25)27-23(29)16-8-10-18(11-9-16)30-15-17-14-28-12-4-3-7-22(28)26-17/h1-12,14,21H,15H2,(H,27,29)
InChIKeyTZUFUIIDFYKHCM-UHFFFAOYSA-N
XLogP4.76
TPSA70.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methylbenzamide
CID 51335280
N-[(2-fluorophenyl)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 32742009
N-(2-amino-1-cyclopropylethyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride
CID 119616671
N-[(4-cyanophenyl)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 134035536
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide
CID 46514505
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 55513843
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-prop-2-enylbenzamide
CID 31765000
N-(4-acetamidophenyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 31702330
2-chloro-N-[2-[[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]amino]ethyl]benzamide
CID 35696945
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(3-propan-2-yloxypropyl)benzamide
CID 35823533
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 31842029
N-(2-chloro-4-fluorophenyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 55515874

Frequently Asked Questions

What is the IUPAC name of N-[cyano-(2-fluorophenyl)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide?
The IUPAC name of N-[cyano-(2-fluorophenyl)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide (CID 56572139) is N-[cyano-(2-fluorophenyl)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide.
What is the SMILES notation for N-[cyano-(2-fluorophenyl)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide?
The canonical SMILES for N-[cyano-(2-fluorophenyl)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide is N#CC(NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1)c1ccccc1F.
What is the InChIKey of N-[cyano-(2-fluorophenyl)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide?
The InChIKey is TZUFUIIDFYKHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN4OS/c24-20-6-2-1-5-19(20)21(13-25)27-23(29)16-8-10-18(11-9-16)30-15-17-14-28-12-4-3-7-22(28)26-17/h1-12,14,21H,15H2,(H,27,29).
What are the key properties of N-[cyano-(2-fluorophenyl)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide?
N-[cyano-(2-fluorophenyl)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide has a molecular weight of 416.48 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano-(2-fluorophenyl)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide is sourced from PubChem (CID 56572139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).