2-fluoro-6-[4-[1-methyl-6-oxo-4-(6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]pyrazol-1-yl]benzonitrile

C24H20FN5O2 — CID 135355179

IUPAC2-fluoro-6-[4-[1-methyl-6-oxo-4-(6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]pyrazol-1-yl]benzonitrile
SMILESCC(C)Oc1ccc(-c2cc(=O)n(C)cc2-c2cnn(-c3cccc(F)c3C#N)c2)cn1
InChIInChI=1S/C24H20FN5O2/c1-15(2)32-23-8-7-16(11-27-23)18-9-24(31)29(3)14-20(18)17-12-28-30(13-17)22-6-4-5-21(25)19(22)10-26/h4-9,11-15H,1-3H3
InChIKeyVVGNAAUBXUSZBE-UHFFFAOYSA-N
MW429.46 g/mol
LogP4.10
Rot. Bonds5

About 2-fluoro-6-[4-[1-methyl-6-oxo-4-(6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]pyrazol-1-yl]benzonitrile

2-fluoro-6-[4-[1-methyl-6-oxo-4-(6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]pyrazol-1-yl]benzonitrile (PubChem CID 135355179) has the molecular formula C24H20FN5O2 and a molecular weight of 429.46 g/mol. Its IUPAC name is 2-fluoro-6-[4-[1-methyl-6-oxo-4-(6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]pyrazol-1-yl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-[4-[1-methyl-6-oxo-4-(6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]pyrazol-1-yl]benzonitrile
PubChem CID135355179
Molecular FormulaC24H20FN5O2
Molecular Weight429.46 g/mol
Exact Mass429.16
IUPAC Name2-fluoro-6-[4-[1-methyl-6-oxo-4-(6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]pyrazol-1-yl]benzonitrile
SMILESCC(C)Oc1ccc(-c2cc(=O)n(C)cc2-c2cnn(-c3cccc(F)c3C#N)c2)cn1
InChIInChI=1S/C24H20FN5O2/c1-15(2)32-23-8-7-16(11-27-23)18-9-24(31)29(3)14-20(18)17-12-28-30(13-17)22-6-4-5-21(25)19(22)10-26/h4-9,11-15H,1-3H3
InChIKeyVVGNAAUBXUSZBE-UHFFFAOYSA-N
XLogP4.10
TPSA85.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-5-(1-Methyl-3-{[4-(Quinolin-2-Yl)phenoxy]methyl}-1h-Pyrazol-4-Yl)pyridin-2(1h)-One
CID 66555959
[(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
CID 59396036
Orexin receptor antagonist 22
CID 71526477
US10617680, Example 359
CID 135355059
US10617680, Example 274
CID 135355313
US10617680, Example 353
CID 135355338
US10617680, Example 361
CID 135355356
US10617680, Example 362
CID 135355366
US10617680, Example 387
CID 135355379
US10617680, Example 278
CID 135355402
US10617680, Example 354
CID 135355417
US10617680, Example 319
CID 135355448

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[4-[1-methyl-6-oxo-4-(6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]pyrazol-1-yl]benzonitrile?
The IUPAC name of 2-fluoro-6-[4-[1-methyl-6-oxo-4-(6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]pyrazol-1-yl]benzonitrile (CID 135355179) is 2-fluoro-6-[4-[1-methyl-6-oxo-4-(6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]pyrazol-1-yl]benzonitrile.
What is the SMILES notation for 2-fluoro-6-[4-[1-methyl-6-oxo-4-(6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]pyrazol-1-yl]benzonitrile?
The canonical SMILES for 2-fluoro-6-[4-[1-methyl-6-oxo-4-(6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]pyrazol-1-yl]benzonitrile is CC(C)Oc1ccc(-c2cc(=O)n(C)cc2-c2cnn(-c3cccc(F)c3C#N)c2)cn1.
What is the InChIKey of 2-fluoro-6-[4-[1-methyl-6-oxo-4-(6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]pyrazol-1-yl]benzonitrile?
The InChIKey is VVGNAAUBXUSZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O2/c1-15(2)32-23-8-7-16(11-27-23)18-9-24(31)29(3)14-20(18)17-12-28-30(13-17)22-6-4-5-21(25)19(22)10-26/h4-9,11-15H,1-3H3.
What are the key properties of 2-fluoro-6-[4-[1-methyl-6-oxo-4-(6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]pyrazol-1-yl]benzonitrile?
2-fluoro-6-[4-[1-methyl-6-oxo-4-(6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]pyrazol-1-yl]benzonitrile has a molecular weight of 429.46 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[4-[1-methyl-6-oxo-4-(6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]pyrazol-1-yl]benzonitrile is sourced from PubChem (CID 135355179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).