2-(2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyridine

C25H24FN5 — CID 56597467

IUPAC2-(2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyridine
SMILESCN1CCC(n2cc(-c3cncc(-c4ccnc(-c5ccccc5F)c4)c3)cn2)CC1
InChIInChI=1S/C25H24FN5/c1-30-10-7-22(8-11-30)31-17-21(16-29-31)20-12-19(14-27-15-20)18-6-9-28-25(13-18)23-4-2-3-5-24(23)26/h2-6,9,12-17,22H,7-8,10-11H2,1H3
InChIKeySINJKBXSBDFMDC-UHFFFAOYSA-N
MW413.50 g/mol
LogP5.08
Rot. Bonds4

About 2-(2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyridine

2-(2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyridine (PubChem CID 56597467) has the molecular formula C25H24FN5 and a molecular weight of 413.50 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyridine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyridine
PubChem CID56597467
Molecular FormulaC25H24FN5
Molecular Weight413.50 g/mol
Exact Mass413.20
IUPAC Name2-(2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyridine
SMILESCN1CCC(n2cc(-c3cncc(-c4ccnc(-c5ccccc5F)c4)c3)cn2)CC1
InChIInChI=1S/C25H24FN5/c1-30-10-7-22(8-11-30)31-17-21(16-29-31)20-12-19(14-27-15-20)18-6-9-28-25(13-18)23-4-2-3-5-24(23)26/h2-6,9,12-17,22H,7-8,10-11H2,1H3
InChIKeySINJKBXSBDFMDC-UHFFFAOYSA-N
XLogP5.08
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.50
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyridine?
The IUPAC name of 2-(2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyridine (CID 56597467) is 2-(2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyridine.
What is the SMILES notation for 2-(2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyridine?
The canonical SMILES for 2-(2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyridine is CN1CCC(n2cc(-c3cncc(-c4ccnc(-c5ccccc5F)c4)c3)cn2)CC1.
What is the InChIKey of 2-(2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyridine?
The InChIKey is SINJKBXSBDFMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5/c1-30-10-7-22(8-11-30)31-17-21(16-29-31)20-12-19(14-27-15-20)18-6-9-28-25(13-18)23-4-2-3-5-24(23)26/h2-6,9,12-17,22H,7-8,10-11H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyridine?
2-(2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyridine has a molecular weight of 413.50 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyridine is sourced from PubChem (CID 56597467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).