4,4-bis(4-fluorophenyl)-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]butan-1-amine

C25H24F2N4 — CID 10835813

IUPAC4,4-bis(4-fluorophenyl)-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]butan-1-amine
SMILESFc1ccc(C(CCCNCc2cccc(-n3cccn3)n2)c2ccc(F)cc2)cc1
InChIInChI=1S/C25H24F2N4/c26-21-11-7-19(8-12-21)24(20-9-13-22(27)14-10-20)5-2-15-28-18-23-4-1-6-25(30-23)31-17-3-16-29-31/h1,3-4,6-14,16-17,24,28H,2,5,15,18H2
InChIKeyDGOXEPJQFSTIMR-UHFFFAOYSA-N
MW418.49 g/mol
LogP5.25
Rot. Bonds9

About 4,4-bis(4-fluorophenyl)-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]butan-1-amine

4,4-bis(4-fluorophenyl)-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]butan-1-amine (PubChem CID 10835813) has the molecular formula C25H24F2N4 and a molecular weight of 418.49 g/mol. Its IUPAC name is 4,4-bis(4-fluorophenyl)-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]butan-1-amine.

Molecular Properties

Compound Name4,4-bis(4-fluorophenyl)-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]butan-1-amine
PubChem CID10835813
Molecular FormulaC25H24F2N4
Molecular Weight418.49 g/mol
Exact Mass418.20
IUPAC Name4,4-bis(4-fluorophenyl)-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]butan-1-amine
SMILESFc1ccc(C(CCCNCc2cccc(-n3cccn3)n2)c2ccc(F)cc2)cc1
InChIInChI=1S/C25H24F2N4/c26-21-11-7-19(8-12-21)24(20-9-13-22(27)14-10-20)5-2-15-28-18-23-4-1-6-25(30-23)31-17-3-16-29-31/h1,3-4,6-14,16-17,24,28H,2,5,15,18H2
InChIKeyDGOXEPJQFSTIMR-UHFFFAOYSA-N
XLogP5.25
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.49
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4-bis(4-fluorophenyl)-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]butan-1-amine?
The IUPAC name of 4,4-bis(4-fluorophenyl)-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]butan-1-amine (CID 10835813) is 4,4-bis(4-fluorophenyl)-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]butan-1-amine.
What is the SMILES notation for 4,4-bis(4-fluorophenyl)-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]butan-1-amine?
The canonical SMILES for 4,4-bis(4-fluorophenyl)-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]butan-1-amine is Fc1ccc(C(CCCNCc2cccc(-n3cccn3)n2)c2ccc(F)cc2)cc1.
What is the InChIKey of 4,4-bis(4-fluorophenyl)-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]butan-1-amine?
The InChIKey is DGOXEPJQFSTIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N4/c26-21-11-7-19(8-12-21)24(20-9-13-22(27)14-10-20)5-2-15-28-18-23-4-1-6-25(30-23)31-17-3-16-29-31/h1,3-4,6-14,16-17,24,28H,2,5,15,18H2.
What are the key properties of 4,4-bis(4-fluorophenyl)-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]butan-1-amine?
4,4-bis(4-fluorophenyl)-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]butan-1-amine has a molecular weight of 418.49 g/mol, XLogP of 5.25, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(4-fluorophenyl)-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]butan-1-amine is sourced from PubChem (CID 10835813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).