ethane;[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]-[2-(trifluoromethoxy)phenyl]methanone

C28H21F4N3O2 — CID 142174266

IUPACethane;[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]-[2-(trifluoromethoxy)phenyl]methanone
SMILESCC.O=C(c1ccccc1OC(F)(F)F)c1cccc2c(-c3ccncc3)c(-c3ccc(F)cc3)nn12
InChIInChI=1S/C26H15F4N3O2.C2H6/c27-18-10-8-17(9-11-18)24-23(16-12-14-31-15-13-16)20-5-3-6-21(33(20)32-24)25(34)19-4-1-2-7-22(19)35-26(28,29)30;1-2/h1-15H;1-2H3
InChIKeyHAERZKKASGLVHM-UHFFFAOYSA-N
MW507.49 g/mol
LogP7.36
Rot. Bonds5

About ethane;[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]-[2-(trifluoromethoxy)phenyl]methanone

ethane;[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]-[2-(trifluoromethoxy)phenyl]methanone (PubChem CID 142174266) has the molecular formula C28H21F4N3O2 and a molecular weight of 507.49 g/mol. Its IUPAC name is ethane;[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]-[2-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Nameethane;[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]-[2-(trifluoromethoxy)phenyl]methanone
PubChem CID142174266
Molecular FormulaC28H21F4N3O2
Molecular Weight507.49 g/mol
Exact Mass507.16
IUPAC Nameethane;[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]-[2-(trifluoromethoxy)phenyl]methanone
SMILESCC.O=C(c1ccccc1OC(F)(F)F)c1cccc2c(-c3ccncc3)c(-c3ccc(F)cc3)nn12
InChIInChI=1S/C26H15F4N3O2.C2H6/c27-18-10-8-17(9-11-18)24-23(16-12-14-31-15-13-16)20-5-3-6-21(33(20)32-24)25(34)19-4-1-2-7-22(19)35-26(28,29)30;1-2/h1-15H;1-2H3
InChIKeyHAERZKKASGLVHM-UHFFFAOYSA-N
XLogP7.36
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.49
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(7-Methoxy-2-trifluoromethylpyrazolo[1,5-a]pyridin-4-yl)-2-(pyridin-4-yl)ethanone
CID 24798271
6-[(6-Methoxy-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 60151149
(E)-1-(2,5-dimethoxyphenyl)-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)prop-2-en-1-one
CID 9028330
(E)-1-(2,5-dimethoxyphenyl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-en-1-one
CID 40606425
[7-Methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-pyridin-4-ylmethanone
CID 72193177
6-[(5-Methoxy-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 86704834
WO2022079616, Example 1.25
CID 163255400
(5-fluoro-2-methoxyphenyl){1-[(1-methyl-1H-indol-3-yl)methyl]-3-piperidinyl}methanone
CID 16192064
1-[7-Methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridin-4-ylethane-1,2-dione
CID 72193176
N-[2-(4-fluorophenyl)ethyl]-4-(2-methoxyphenyl)pyrrolo[1,2-b]pyridazine-2-carboxamide
CID 134797483
2,5-dimethyl-N-[[5-[4-(trifluoromethoxy)phenyl]-2-pyridyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 132054610
[1-[2-(4-Fluorophenyl)ethyl]-3-pyridin-2-ylpyrazol-5-yl]-(2-methoxyphenyl)methanone
CID 172466773

Frequently Asked Questions

What is the IUPAC name of ethane;[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]-[2-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of ethane;[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]-[2-(trifluoromethoxy)phenyl]methanone (CID 142174266) is ethane;[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]-[2-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for ethane;[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]-[2-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for ethane;[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]-[2-(trifluoromethoxy)phenyl]methanone is CC.O=C(c1ccccc1OC(F)(F)F)c1cccc2c(-c3ccncc3)c(-c3ccc(F)cc3)nn12.
What is the InChIKey of ethane;[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]-[2-(trifluoromethoxy)phenyl]methanone?
The InChIKey is HAERZKKASGLVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15F4N3O2.C2H6/c27-18-10-8-17(9-11-18)24-23(16-12-14-31-15-13-16)20-5-3-6-21(33(20)32-24)25(34)19-4-1-2-7-22(19)35-26(28,29)30;1-2/h1-15H;1-2H3.
What are the key properties of ethane;[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]-[2-(trifluoromethoxy)phenyl]methanone?
ethane;[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]-[2-(trifluoromethoxy)phenyl]methanone has a molecular weight of 507.49 g/mol, XLogP of 7.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]-[2-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 142174266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).