N-(4-fluorophenyl)-5-[3-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide

C27H18F4N4O — CID 146341414

IUPACN-(4-fluorophenyl)-5-[3-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide
SMILESCc1cccc(-c2cnc3c(-c4ccc(C(F)(F)F)c(C(=O)Nc5ccc(F)cc5)c4)cccn23)n1
InChIInChI=1S/C27H18F4N4O/c1-16-4-2-6-23(33-16)24-15-32-25-20(5-3-13-35(24)25)17-7-12-22(27(29,30)31)21(14-17)26(36)34-19-10-8-18(28)9-11-19/h2-15H,1H3,(H,34,36)
InChIKeyVHQHCUGDDMONEY-UHFFFAOYSA-N
MW490.46 g/mol
LogP6.78
Rot. Bonds4

About N-(4-fluorophenyl)-5-[3-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide

N-(4-fluorophenyl)-5-[3-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide (PubChem CID 146341414) has the molecular formula C27H18F4N4O and a molecular weight of 490.46 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-[3-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-[3-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide
PubChem CID146341414
Molecular FormulaC27H18F4N4O
Molecular Weight490.46 g/mol
Exact Mass490.14
IUPAC NameN-(4-fluorophenyl)-5-[3-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide
SMILESCc1cccc(-c2cnc3c(-c4ccc(C(F)(F)F)c(C(=O)Nc5ccc(F)cc5)c4)cccn23)n1
InChIInChI=1S/C27H18F4N4O/c1-16-4-2-6-23(33-16)24-15-32-25-20(5-3-13-35(24)25)17-7-12-22(27(29,30)31)21(14-17)26(36)34-19-10-8-18(28)9-11-19/h2-15H,1H3,(H,34,36)
InChIKeyVHQHCUGDDMONEY-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-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(4-fluorophenyl)-5-[3-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide (CID 146341414) is N-(4-fluorophenyl)-5-[3-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(4-fluorophenyl)-5-[3-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(4-fluorophenyl)-5-[3-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide is Cc1cccc(-c2cnc3c(-c4ccc(C(F)(F)F)c(C(=O)Nc5ccc(F)cc5)c4)cccn23)n1.
What is the InChIKey of N-(4-fluorophenyl)-5-[3-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide?
The InChIKey is VHQHCUGDDMONEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18F4N4O/c1-16-4-2-6-23(33-16)24-15-32-25-20(5-3-13-35(24)25)17-7-12-22(27(29,30)31)21(14-17)26(36)34-19-10-8-18(28)9-11-19/h2-15H,1H3,(H,34,36).
What are the key properties of N-(4-fluorophenyl)-5-[3-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide?
N-(4-fluorophenyl)-5-[3-(6-methyl-2-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-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 146341414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).