2-[4-[4-(6-cyclopropyloxy-3-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]-6-fluorobenzonitrile

C24H18FN5O2 — CID 135355366

IUPAC2-[4-[4-(6-cyclopropyloxy-3-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]-6-fluorobenzonitrile
SMILESCn1cc(-c2cnn(-c3cccc(F)c3C#N)c2)c(-c2ccc(OC3CC3)nc2)cc1=O
InChIInChI=1S/C24H18FN5O2/c1-29-14-20(16-12-28-30(13-16)22-4-2-3-21(25)19(22)10-26)18(9-24(29)31)15-5-8-23(27-11-15)32-17-6-7-17/h2-5,8-9,11-14,17H,6-7H2,1H3
InChIKeyCLYWQZHEWZWWMX-UHFFFAOYSA-N
MW427.44 g/mol
LogP3.85
Rot. Bonds5

About 2-[4-[4-(6-cyclopropyloxy-3-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]-6-fluorobenzonitrile

2-[4-[4-(6-cyclopropyloxy-3-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]-6-fluorobenzonitrile (PubChem CID 135355366) has the molecular formula C24H18FN5O2 and a molecular weight of 427.44 g/mol. Its IUPAC name is 2-[4-[4-(6-cyclopropyloxy-3-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-[4-[4-(6-cyclopropyloxy-3-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]-6-fluorobenzonitrile
PubChem CID135355366
Molecular FormulaC24H18FN5O2
Molecular Weight427.44 g/mol
Exact Mass427.14
IUPAC Name2-[4-[4-(6-cyclopropyloxy-3-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]-6-fluorobenzonitrile
SMILESCn1cc(-c2cnn(-c3cccc(F)c3C#N)c2)c(-c2ccc(OC3CC3)nc2)cc1=O
InChIInChI=1S/C24H18FN5O2/c1-29-14-20(16-12-28-30(13-16)22-4-2-3-21(25)19(22)10-26)18(9-24(29)31)15-5-8-23(27-11-15)32-17-6-7-17/h2-5,8-9,11-14,17H,6-7H2,1H3
InChIKeyCLYWQZHEWZWWMX-UHFFFAOYSA-N
XLogP3.85
TPSA85.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.44
LogP ≤ 53.85
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

US10617680, Example 359
CID 135355059
US10617680, Example 358
CID 135355179
US10617680, Example 274
CID 135355313
US10617680, Example 353
CID 135355338
US10617680, Example 361
CID 135355356
US10617680, Example 387
CID 135355379
US10617680, Example 278
CID 135355402
US10617680, Example 354
CID 135355417
US10617680, Example 319
CID 135355448
US10617680, Example 360
CID 135355532
US10617680, Example 263
CID 135355535
3-fluoro-4-(2-((6-(1-methyl-1H-pyrazol-5-yl)pyridin-2-yl)oxy)ethoxy) benzonitrile
CID 138471285

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(6-cyclopropyloxy-3-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]-6-fluorobenzonitrile?
The IUPAC name of 2-[4-[4-(6-cyclopropyloxy-3-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]-6-fluorobenzonitrile (CID 135355366) is 2-[4-[4-(6-cyclopropyloxy-3-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]-6-fluorobenzonitrile.
What is the SMILES notation for 2-[4-[4-(6-cyclopropyloxy-3-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]-6-fluorobenzonitrile?
The canonical SMILES for 2-[4-[4-(6-cyclopropyloxy-3-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]-6-fluorobenzonitrile is Cn1cc(-c2cnn(-c3cccc(F)c3C#N)c2)c(-c2ccc(OC3CC3)nc2)cc1=O.
What is the InChIKey of 2-[4-[4-(6-cyclopropyloxy-3-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]-6-fluorobenzonitrile?
The InChIKey is CLYWQZHEWZWWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN5O2/c1-29-14-20(16-12-28-30(13-16)22-4-2-3-21(25)19(22)10-26)18(9-24(29)31)15-5-8-23(27-11-15)32-17-6-7-17/h2-5,8-9,11-14,17H,6-7H2,1H3.
What are the key properties of 2-[4-[4-(6-cyclopropyloxy-3-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]-6-fluorobenzonitrile?
2-[4-[4-(6-cyclopropyloxy-3-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]-6-fluorobenzonitrile has a molecular weight of 427.44 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(6-cyclopropyloxy-3-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]-6-fluorobenzonitrile is sourced from PubChem (CID 135355366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).