1-(4-fluorophenyl)-4-[3-(4-fluorophenyl)-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one

C28H25F2N3O — CID 70447563

IUPAC1-(4-fluorophenyl)-4-[3-(4-fluorophenyl)-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
SMILESO=C(CCCN1CCc2c(c(-c3ccc(F)cc3)nn2-c2ccccc2)C1)c1ccc(F)cc1
InChIInChI=1S/C28H25F2N3O/c29-22-12-8-20(9-13-22)27(34)7-4-17-32-18-16-26-25(19-32)28(21-10-14-23(30)15-11-21)31-33(26)24-5-2-1-3-6-24/h1-3,5-6,8-15H,4,7,16-19H2
InChIKeyGBKUGSCIDTUZPA-UHFFFAOYSA-N
MW457.52 g/mol
LogP5.84
Rot. Bonds7

About 1-(4-fluorophenyl)-4-[3-(4-fluorophenyl)-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one

1-(4-fluorophenyl)-4-[3-(4-fluorophenyl)-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one (PubChem CID 70447563) has the molecular formula C28H25F2N3O and a molecular weight of 457.52 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[3-(4-fluorophenyl)-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[3-(4-fluorophenyl)-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
PubChem CID70447563
Molecular FormulaC28H25F2N3O
Molecular Weight457.52 g/mol
Exact Mass457.20
IUPAC Name1-(4-fluorophenyl)-4-[3-(4-fluorophenyl)-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
SMILESO=C(CCCN1CCc2c(c(-c3ccc(F)cc3)nn2-c2ccccc2)C1)c1ccc(F)cc1
InChIInChI=1S/C28H25F2N3O/c29-22-12-8-20(9-13-22)27(34)7-4-17-32-18-16-26-25(19-32)28(21-10-14-23(30)15-11-21)31-33(26)24-5-2-1-3-6-24/h1-3,5-6,8-15H,4,7,16-19H2
InChIKeyGBKUGSCIDTUZPA-UHFFFAOYSA-N
XLogP5.84
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.52
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[3-(4-fluorophenyl)-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-4-[3-(4-fluorophenyl)-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one (CID 70447563) is 1-(4-fluorophenyl)-4-[3-(4-fluorophenyl)-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[3-(4-fluorophenyl)-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-4-[3-(4-fluorophenyl)-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one is O=C(CCCN1CCc2c(c(-c3ccc(F)cc3)nn2-c2ccccc2)C1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[3-(4-fluorophenyl)-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one?
The InChIKey is GBKUGSCIDTUZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F2N3O/c29-22-12-8-20(9-13-22)27(34)7-4-17-32-18-16-26-25(19-32)28(21-10-14-23(30)15-11-21)31-33(26)24-5-2-1-3-6-24/h1-3,5-6,8-15H,4,7,16-19H2.
What are the key properties of 1-(4-fluorophenyl)-4-[3-(4-fluorophenyl)-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one?
1-(4-fluorophenyl)-4-[3-(4-fluorophenyl)-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one has a molecular weight of 457.52 g/mol, XLogP of 5.84, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[3-(4-fluorophenyl)-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one is sourced from PubChem (CID 70447563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).