1-(4-fluorophenyl)-3-[2-(3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxyphenyl)acetyl]-4-iodopyridin-2-one

C26H16F2IN3O3 — CID 159881236

IUPAC1-(4-fluorophenyl)-3-[2-(3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxyphenyl)acetyl]-4-iodopyridin-2-one
SMILESO=C(Cc1ccc(Oc2cccn3nccc23)c(F)c1)c1c(I)ccn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C26H16F2IN3O3/c27-17-4-6-18(7-5-17)31-13-10-20(29)25(26(31)34)22(33)15-16-3-8-23(19(28)14-16)35-24-2-1-12-32-21(24)9-11-30-32/h1-14H,15H2
InChIKeyNTNYAWZJCRUIGS-UHFFFAOYSA-N
MW583.33 g/mol
LogP5.59
Rot. Bonds6

About 1-(4-fluorophenyl)-3-[2-(3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxyphenyl)acetyl]-4-iodopyridin-2-one

1-(4-fluorophenyl)-3-[2-(3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxyphenyl)acetyl]-4-iodopyridin-2-one (PubChem CID 159881236) has the molecular formula C26H16F2IN3O3 and a molecular weight of 583.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[2-(3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxyphenyl)acetyl]-4-iodopyridin-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[2-(3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxyphenyl)acetyl]-4-iodopyridin-2-one
PubChem CID159881236
Molecular FormulaC26H16F2IN3O3
Molecular Weight583.33 g/mol
Exact Mass583.02
IUPAC Name1-(4-fluorophenyl)-3-[2-(3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxyphenyl)acetyl]-4-iodopyridin-2-one
SMILESO=C(Cc1ccc(Oc2cccn3nccc23)c(F)c1)c1c(I)ccn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C26H16F2IN3O3/c27-17-4-6-18(7-5-17)31-13-10-20(29)25(26(31)34)22(33)15-16-3-8-23(19(28)14-16)35-24-2-1-12-32-21(24)9-11-30-32/h1-14H,15H2
InChIKeyNTNYAWZJCRUIGS-UHFFFAOYSA-N
XLogP5.59
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.33
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-[2-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-1-(4-fluorophenyl)pyridin-2-one
CID 152834497
3-[2-[4-[5-(4-aminophenyl)pyrrolo[1,2-b]pyridazin-4-yl]oxy-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-4-methylpyridin-2-one
CID 160996124
3-[2-[3-fluoro-4-[6-(oxan-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-1-(4-fluorophenyl)pyridin-2-one
CID 160562064
1-(4-fluorophenyl)-3-[2-[3-fluoro-4-[5-(1,3-thiazol-2-yl)pyrrolo[1,2-b]pyridazin-4-yl]oxyphenyl]acetyl]-4-methylpyridin-2-one
CID 160955496
3-[2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)pyridin-2-one
CID 147404576
3-[2-[3-fluoro-4-[5-(3-methylsulfonylphenyl)pyrrolo[1,2-b]pyridazin-4-yl]oxyphenyl]acetyl]-1-(4-fluorophenyl)-4-methylpyridin-2-one
CID 152845220
3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-4-ethoxy-1-(4-fluorophenyl)pyridin-2-one
CID 167680891
4-fluorobenzamide;3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxybenzamide
CID 118197886
3-[2-[4-[5-(1-cyclohexylpyrazol-4-yl)pyrrolo[1,2-b]pyridazin-4-yl]oxy-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-4-methylpyridin-2-one
CID 159817869
5-(4-fluorophenyl)-7-[2-(3-fluoro-4-pyrazolo[1,5-a]pyrimidin-7-yloxyphenyl)acetyl]-2,3-dihydrofuro[3,2-c]pyridin-6-one
CID 167612571
4-[2-[3-fluoro-4-[5-(4-fluorophenyl)pyrrolo[1,2-b]pyridazin-4-yl]oxyphenyl]acetyl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 58368384
3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-4,5-dimethylpyridin-2-one
CID 167703742

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[2-(3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxyphenyl)acetyl]-4-iodopyridin-2-one?
The IUPAC name of 1-(4-fluorophenyl)-3-[2-(3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxyphenyl)acetyl]-4-iodopyridin-2-one (CID 159881236) is 1-(4-fluorophenyl)-3-[2-(3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxyphenyl)acetyl]-4-iodopyridin-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[2-(3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxyphenyl)acetyl]-4-iodopyridin-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-[2-(3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxyphenyl)acetyl]-4-iodopyridin-2-one is O=C(Cc1ccc(Oc2cccn3nccc23)c(F)c1)c1c(I)ccn(-c2ccc(F)cc2)c1=O.
What is the InChIKey of 1-(4-fluorophenyl)-3-[2-(3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxyphenyl)acetyl]-4-iodopyridin-2-one?
The InChIKey is NTNYAWZJCRUIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16F2IN3O3/c27-17-4-6-18(7-5-17)31-13-10-20(29)25(26(31)34)22(33)15-16-3-8-23(19(28)14-16)35-24-2-1-12-32-21(24)9-11-30-32/h1-14H,15H2.
What are the key properties of 1-(4-fluorophenyl)-3-[2-(3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxyphenyl)acetyl]-4-iodopyridin-2-one?
1-(4-fluorophenyl)-3-[2-(3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxyphenyl)acetyl]-4-iodopyridin-2-one has a molecular weight of 583.33 g/mol, XLogP of 5.59, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[2-(3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxyphenyl)acetyl]-4-iodopyridin-2-one is sourced from PubChem (CID 159881236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).