1-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-one

C20H16F3N5O2 — CID 167560430

IUPAC1-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-one
SMILESCn1nc(CC(=O)COc2ccc(-c3cnc4ccccn34)cn2)cc1C(F)(F)F
InChIInChI=1S/C20H16F3N5O2/c1-27-17(20(21,22)23)9-14(26-27)8-15(29)12-30-19-6-5-13(10-25-19)16-11-24-18-4-2-3-7-28(16)18/h2-7,9-11H,8,12H2,1H3
InChIKeyIOBLMPMFNFDYGA-UHFFFAOYSA-N
MW415.38 g/mol
LogP3.34
Rot. Bonds6

About 1-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-one

1-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-one (PubChem CID 167560430) has the molecular formula C20H16F3N5O2 and a molecular weight of 415.38 g/mol. Its IUPAC name is 1-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-one.

Molecular Properties

Compound Name1-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-one
PubChem CID167560430
Molecular FormulaC20H16F3N5O2
Molecular Weight415.38 g/mol
Exact Mass415.13
IUPAC Name1-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-one
SMILESCn1nc(CC(=O)COc2ccc(-c3cnc4ccccn34)cn2)cc1C(F)(F)F
InChIInChI=1S/C20H16F3N5O2/c1-27-17(20(21,22)23)9-14(26-27)8-15(29)12-30-19-6-5-13(10-25-19)16-11-24-18-4-2-3-7-28(16)18/h2-7,9-11H,8,12H2,1H3
InChIKeyIOBLMPMFNFDYGA-UHFFFAOYSA-N
XLogP3.34
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.38
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Methyl substituted pyrazole, 27
CID 23648674
6-(1-Cyclopropylpyrazol-4-yl)-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179849
N-methyl-5-[7-(1-methylpyrazol-4-yl)-6-phenylmethoxyimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carboxamide
CID 161428819
3-[1-[3-Methoxy-4-[[6-(trifluoromethyl)pyridin-3-yl]methoxy]phenyl]ethyl]-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridine
CID 118009842
7-[[2-(6-Methoxy-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine
CID 11256579
US11247989, Example 150
CID 132186590
US11247989, Example 156
CID 132186600
US11247989, Example 152
CID 139382663
2-(Difluoromethyl)-5-[5-fluoro-6-(imidazo[1,2-a]pyridin-8-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169235861
2-(Difluoromethyl)-5-[6-(imidazo[1,2-a]pyridin-8-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290331
3-(6-Methoxy-3-pyridinyl)-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine
CID 155544098
6-(1-Methylpyrazol-4-yl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine
CID 155554469

Frequently Asked Questions

What is the IUPAC name of 1-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-one?
The IUPAC name of 1-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-one (CID 167560430) is 1-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-one.
What is the SMILES notation for 1-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-one?
The canonical SMILES for 1-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-one is Cn1nc(CC(=O)COc2ccc(-c3cnc4ccccn34)cn2)cc1C(F)(F)F.
What is the InChIKey of 1-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-one?
The InChIKey is IOBLMPMFNFDYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O2/c1-27-17(20(21,22)23)9-14(26-27)8-15(29)12-30-19-6-5-13(10-25-19)16-11-24-18-4-2-3-7-28(16)18/h2-7,9-11H,8,12H2,1H3.
What are the key properties of 1-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-one?
1-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-one has a molecular weight of 415.38 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-one is sourced from PubChem (CID 167560430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).