N-(4-fluorophenyl)-5-[3-(2-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide

C27H18F4N4O — CID 146307433

IUPACN-(4-fluorophenyl)-5-[3-(2-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide
SMILESCc1ncccc1-c1cnc2c(-c3ccc(C(F)(F)F)c(C(=O)Nc4ccc(F)cc4)c3)cccn12
InChIInChI=1S/C27H18F4N4O/c1-16-20(4-2-12-32-16)24-15-33-25-21(5-3-13-35(24)25)17-6-11-23(27(29,30)31)22(14-17)26(36)34-19-9-7-18(28)8-10-19/h2-15H,1H3,(H,34,36)
InChIKeySGNSZDHWFKFDDP-UHFFFAOYSA-N
MW490.46 g/mol
LogP6.78
Rot. Bonds4

About N-(4-fluorophenyl)-5-[3-(2-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide

N-(4-fluorophenyl)-5-[3-(2-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide (PubChem CID 146307433) has the molecular formula C27H18F4N4O and a molecular weight of 490.46 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-[3-(2-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-[3-(2-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide
PubChem CID146307433
Molecular FormulaC27H18F4N4O
Molecular Weight490.46 g/mol
Exact Mass490.14
IUPAC NameN-(4-fluorophenyl)-5-[3-(2-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide
SMILESCc1ncccc1-c1cnc2c(-c3ccc(C(F)(F)F)c(C(=O)Nc4ccc(F)cc4)c3)cccn12
InChIInChI=1S/C27H18F4N4O/c1-16-20(4-2-12-32-16)24-15-33-25-21(5-3-13-35(24)25)17-6-11-23(27(29,30)31)22(14-17)26(36)34-19-9-7-18(28)8-10-19/h2-15H,1H3,(H,34,36)
InChIKeySGNSZDHWFKFDDP-UHFFFAOYSA-N
XLogP6.78
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.46
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-[3-(2-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(4-fluorophenyl)-5-[3-(2-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide (CID 146307433) is N-(4-fluorophenyl)-5-[3-(2-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(4-fluorophenyl)-5-[3-(2-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(4-fluorophenyl)-5-[3-(2-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide is Cc1ncccc1-c1cnc2c(-c3ccc(C(F)(F)F)c(C(=O)Nc4ccc(F)cc4)c3)cccn12.
What is the InChIKey of N-(4-fluorophenyl)-5-[3-(2-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide?
The InChIKey is SGNSZDHWFKFDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18F4N4O/c1-16-20(4-2-12-32-16)24-15-33-25-21(5-3-13-35(24)25)17-6-11-23(27(29,30)31)22(14-17)26(36)34-19-9-7-18(28)8-10-19/h2-15H,1H3,(H,34,36).
What are the key properties of N-(4-fluorophenyl)-5-[3-(2-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide?
N-(4-fluorophenyl)-5-[3-(2-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide has a molecular weight of 490.46 g/mol, XLogP of 6.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5-[3-(2-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 146307433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).