[1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone

C25H28FN5O — CID 46323923

IUPAC[1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESO=C(c1cc(-c2cccnc2)n(-c2ccc(F)cc2)n1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C25H28FN5O/c26-20-6-8-22(9-7-20)31-24(19-5-4-12-27-18-19)17-23(28-31)25(32)30-15-10-21(11-16-30)29-13-2-1-3-14-29/h4-9,12,17-18,21H,1-3,10-11,13-16H2
InChIKeySYFFRZNWOLBQJX-UHFFFAOYSA-N
MW433.53 g/mol
LogP4.16
Rot. Bonds4

About [1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone

[1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone (PubChem CID 46323923) has the molecular formula C25H28FN5O and a molecular weight of 433.53 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
PubChem CID46323923
Molecular FormulaC25H28FN5O
Molecular Weight433.53 g/mol
Exact Mass433.23
IUPAC Name[1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESO=C(c1cc(-c2cccnc2)n(-c2ccc(F)cc2)n1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C25H28FN5O/c26-20-6-8-22(9-7-20)31-24(19-5-4-12-27-18-19)17-23(28-31)25(32)30-15-10-21(11-16-30)29-13-2-1-3-14-29/h4-9,12,17-18,21H,1-3,10-11,13-16H2
InChIKeySYFFRZNWOLBQJX-UHFFFAOYSA-N
XLogP4.16
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of [1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone (CID 46323923) is [1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for [1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone is O=C(c1cc(-c2cccnc2)n(-c2ccc(F)cc2)n1)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of [1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is SYFFRZNWOLBQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5O/c26-20-6-8-22(9-7-20)31-24(19-5-4-12-27-18-19)17-23(28-31)25(32)30-15-10-21(11-16-30)29-13-2-1-3-14-29/h4-9,12,17-18,21H,1-3,10-11,13-16H2.
What are the key properties of [1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
[1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 433.53 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 46323923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).