6-pyridin-4-yl-5-(trifluoromethyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one

C12H7F3N4O — CID 5487388

IUPAC6-pyridin-4-yl-5-(trifluoromethyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2cc(-c3ccncc3)c(C(F)(F)F)nc2[nH]1
InChIInChI=1S/C12H7F3N4O/c13-12(14,15)9-7(6-1-3-16-4-2-6)5-8-10(18-9)19-11(20)17-8/h1-5H,(H2,17,18,19,20)
InChIKeyJSUZBWHUZJJRII-UHFFFAOYSA-N
MW280.21 g/mol
LogP2.33
Rot. Bonds1

About 6-pyridin-4-yl-5-(trifluoromethyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one

6-pyridin-4-yl-5-(trifluoromethyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one (PubChem CID 5487388) has the molecular formula C12H7F3N4O and a molecular weight of 280.21 g/mol. Its IUPAC name is 6-pyridin-4-yl-5-(trifluoromethyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-pyridin-4-yl-5-(trifluoromethyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
PubChem CID5487388
Molecular FormulaC12H7F3N4O
Molecular Weight280.21 g/mol
Exact Mass280.06
IUPAC Name6-pyridin-4-yl-5-(trifluoromethyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2cc(-c3ccncc3)c(C(F)(F)F)nc2[nH]1
InChIInChI=1S/C12H7F3N4O/c13-12(14,15)9-7(6-1-3-16-4-2-6)5-8-10(18-9)19-11(20)17-8/h1-5H,(H2,17,18,19,20)
InChIKeyJSUZBWHUZJJRII-UHFFFAOYSA-N
XLogP2.33
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-Dihydroimidazo(4,5-b)pyridin-2-one
CID 519250
N-{6-[6-Amino-5-(Trifluoromethyl)pyridin-3-Yl]imidazo[1,2-A]pyridin-2-Yl}acetamide
CID 59251679
4-amino-1-[[6-(2-piperidin-1-ylethylamino)-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
CID 56669090
N-[4-[3-[6-(difluoromethyl)pyridin-2-yl]-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl]acetamide
CID 121412063
N-(4-methylphenyl)-4-[3-(trifluoromethyl)pyridin-2-yl]tetrahydropyrazine-1(2H)-carboxamide
CID 2741741
N-(3-methyl-2-pyridinyl)-N'-[3-(trifluoromethyl)phenyl]urea
CID 970494
Piperazine-1-carboxamide, 4
CID 2741409
1-Methyl-6-Phenyl-1,3-Dihydro-2h-Imidazo[4,5-B]pyridin-2-One
CID 4153551
4-amino-1-[[6-[2-(diethylamino)ethyl-methylamino]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
CID 56672556
4-amino-1-[[6-[methyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
CID 56672557
N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 4963438
3-benzyl-2-hydroxy-3H-imidazo[4,5-b]pyridine
CID 910567

Frequently Asked Questions

What is the IUPAC name of 6-pyridin-4-yl-5-(trifluoromethyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-pyridin-4-yl-5-(trifluoromethyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one (CID 5487388) is 6-pyridin-4-yl-5-(trifluoromethyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-pyridin-4-yl-5-(trifluoromethyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-pyridin-4-yl-5-(trifluoromethyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one is O=c1[nH]c2cc(-c3ccncc3)c(C(F)(F)F)nc2[nH]1.
What is the InChIKey of 6-pyridin-4-yl-5-(trifluoromethyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The InChIKey is JSUZBWHUZJJRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N4O/c13-12(14,15)9-7(6-1-3-16-4-2-6)5-8-10(18-9)19-11(20)17-8/h1-5H,(H2,17,18,19,20).
What are the key properties of 6-pyridin-4-yl-5-(trifluoromethyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
6-pyridin-4-yl-5-(trifluoromethyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one has a molecular weight of 280.21 g/mol, XLogP of 2.33, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-4-yl-5-(trifluoromethyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 5487388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).