2-[3-(5-pyridin-2-yl-2H-pyrimidin-1-yl)phenyl]-5-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine

C22H15F3N6 — CID 174175114

IUPAC2-[3-(5-pyridin-2-yl-2H-pyrimidin-1-yl)phenyl]-5-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine
SMILESFC(F)(F)c1ccc2[nH]c(-c3cccc(N4C=C(c5ccccn5)C=NC4)c3)nc2n1
InChIInChI=1S/C22H15F3N6/c23-22(24,25)19-8-7-18-21(29-19)30-20(28-18)14-4-3-5-16(10-14)31-12-15(11-26-13-31)17-6-1-2-9-27-17/h1-12H,13H2,(H,28,29,30)
InChIKeyNDGSJPFNJOAUNF-UHFFFAOYSA-N
MW420.40 g/mol
LogP4.93
Rot. Bonds3

About 2-[3-(5-pyridin-2-yl-2H-pyrimidin-1-yl)phenyl]-5-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine

2-[3-(5-pyridin-2-yl-2H-pyrimidin-1-yl)phenyl]-5-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 174175114) has the molecular formula C22H15F3N6 and a molecular weight of 420.40 g/mol. Its IUPAC name is 2-[3-(5-pyridin-2-yl-2H-pyrimidin-1-yl)phenyl]-5-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[3-(5-pyridin-2-yl-2H-pyrimidin-1-yl)phenyl]-5-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine
PubChem CID174175114
Molecular FormulaC22H15F3N6
Molecular Weight420.40 g/mol
Exact Mass420.13
IUPAC Name2-[3-(5-pyridin-2-yl-2H-pyrimidin-1-yl)phenyl]-5-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine
SMILESFC(F)(F)c1ccc2[nH]c(-c3cccc(N4C=C(c5ccccn5)C=NC4)c3)nc2n1
InChIInChI=1S/C22H15F3N6/c23-22(24,25)19-8-7-18-21(29-19)30-20(28-18)14-4-3-5-16(10-14)31-12-15(11-26-13-31)17-6-1-2-9-27-17/h1-12H,13H2,(H,28,29,30)
InChIKeyNDGSJPFNJOAUNF-UHFFFAOYSA-N
XLogP4.93
TPSA70.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.40
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-pyridin-2-yl-2H-pyrimidin-1-yl)phenyl]-5-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-[3-(5-pyridin-2-yl-2H-pyrimidin-1-yl)phenyl]-5-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine (CID 174175114) is 2-[3-(5-pyridin-2-yl-2H-pyrimidin-1-yl)phenyl]-5-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[3-(5-pyridin-2-yl-2H-pyrimidin-1-yl)phenyl]-5-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[3-(5-pyridin-2-yl-2H-pyrimidin-1-yl)phenyl]-5-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine is FC(F)(F)c1ccc2[nH]c(-c3cccc(N4C=C(c5ccccn5)C=NC4)c3)nc2n1.
What is the InChIKey of 2-[3-(5-pyridin-2-yl-2H-pyrimidin-1-yl)phenyl]-5-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is NDGSJPFNJOAUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N6/c23-22(24,25)19-8-7-18-21(29-19)30-20(28-18)14-4-3-5-16(10-14)31-12-15(11-26-13-31)17-6-1-2-9-27-17/h1-12H,13H2,(H,28,29,30).
What are the key properties of 2-[3-(5-pyridin-2-yl-2H-pyrimidin-1-yl)phenyl]-5-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine?
2-[3-(5-pyridin-2-yl-2H-pyrimidin-1-yl)phenyl]-5-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 420.40 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-pyridin-2-yl-2H-pyrimidin-1-yl)phenyl]-5-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 174175114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).