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

C24H18FN5O — CID 135355426

IUPAC2-[4-[4-(6-cyclopropyl-3-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]-6-fluorobenzonitrile
SMILESCn1cc(-c2cnn(-c3cccc(F)c3C#N)c2)c(-c2ccc(C3CC3)nc2)cc1=O
InChIInChI=1S/C24H18FN5O/c1-29-14-20(17-12-28-30(13-17)23-4-2-3-21(25)19(23)10-26)18(9-24(29)31)16-7-8-22(27-11-16)15-5-6-15/h2-4,7-9,11-15H,5-6H2,1H3
InChIKeyCJXAMGQZFYJEGD-UHFFFAOYSA-N
MW411.44 g/mol
LogP4.19
Rot. Bonds4

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

2-[4-[4-(6-cyclopropyl-3-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]-6-fluorobenzonitrile (PubChem CID 135355426) has the molecular formula C24H18FN5O and a molecular weight of 411.44 g/mol. Its IUPAC name is 2-[4-[4-(6-cyclopropyl-3-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-[4-[4-(6-cyclopropyl-3-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]-6-fluorobenzonitrile
PubChem CID135355426
Molecular FormulaC24H18FN5O
Molecular Weight411.44 g/mol
Exact Mass411.15
IUPAC Name2-[4-[4-(6-cyclopropyl-3-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]-6-fluorobenzonitrile
SMILESCn1cc(-c2cnn(-c3cccc(F)c3C#N)c2)c(-c2ccc(C3CC3)nc2)cc1=O
InChIInChI=1S/C24H18FN5O/c1-29-14-20(17-12-28-30(13-17)23-4-2-3-21(25)19(23)10-26)18(9-24(29)31)16-7-8-22(27-11-16)15-5-6-15/h2-4,7-9,11-15H,5-6H2,1H3
InChIKeyCJXAMGQZFYJEGD-UHFFFAOYSA-N
XLogP4.19
TPSA76.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(6-cyclopropyl-3-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]-6-fluorobenzonitrile?
The IUPAC name of 2-[4-[4-(6-cyclopropyl-3-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]-6-fluorobenzonitrile (CID 135355426) is 2-[4-[4-(6-cyclopropyl-3-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]-6-fluorobenzonitrile.
What is the SMILES notation for 2-[4-[4-(6-cyclopropyl-3-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]-6-fluorobenzonitrile?
The canonical SMILES for 2-[4-[4-(6-cyclopropyl-3-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]-6-fluorobenzonitrile is Cn1cc(-c2cnn(-c3cccc(F)c3C#N)c2)c(-c2ccc(C3CC3)nc2)cc1=O.
What is the InChIKey of 2-[4-[4-(6-cyclopropyl-3-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]-6-fluorobenzonitrile?
The InChIKey is CJXAMGQZFYJEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN5O/c1-29-14-20(17-12-28-30(13-17)23-4-2-3-21(25)19(23)10-26)18(9-24(29)31)16-7-8-22(27-11-16)15-5-6-15/h2-4,7-9,11-15H,5-6H2,1H3.
What are the key properties of 2-[4-[4-(6-cyclopropyl-3-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]-6-fluorobenzonitrile?
2-[4-[4-(6-cyclopropyl-3-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]-6-fluorobenzonitrile has a molecular weight of 411.44 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(6-cyclopropyl-3-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]-6-fluorobenzonitrile is sourced from PubChem (CID 135355426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).