2-fluoro-3-[4-[1-[[2-fluoro-3-(4-propan-2-ylpiperidin-1-yl)-4-pyridinyl]oxy]propan-2-yl]piperidin-1-yl]pyrazine

C25H35F2N5O — CID 176552717

IUPAC2-fluoro-3-[4-[1-[[2-fluoro-3-(4-propan-2-ylpiperidin-1-yl)-4-pyridinyl]oxy]propan-2-yl]piperidin-1-yl]pyrazine
SMILESCC(C)C1CCN(c2c(OCC(C)C3CCN(c4nccnc4F)CC3)ccnc2F)CC1
InChIInChI=1S/C25H35F2N5O/c1-17(2)19-5-12-31(13-6-19)22-21(4-9-28-23(22)26)33-16-18(3)20-7-14-32(15-8-20)25-24(27)29-10-11-30-25/h4,9-11,17-20H,5-8,12-16H2,1-3H3
InChIKeyXPLSTPCWPFEPCZ-UHFFFAOYSA-N
MW459.59 g/mol
LogP4.95
Rot. Bonds7

About 2-fluoro-3-[4-[1-[[2-fluoro-3-(4-propan-2-ylpiperidin-1-yl)-4-pyridinyl]oxy]propan-2-yl]piperidin-1-yl]pyrazine

2-fluoro-3-[4-[1-[[2-fluoro-3-(4-propan-2-ylpiperidin-1-yl)-4-pyridinyl]oxy]propan-2-yl]piperidin-1-yl]pyrazine (PubChem CID 176552717) has the molecular formula C25H35F2N5O and a molecular weight of 459.59 g/mol. Its IUPAC name is 2-fluoro-3-[4-[1-[[2-fluoro-3-(4-propan-2-ylpiperidin-1-yl)-4-pyridinyl]oxy]propan-2-yl]piperidin-1-yl]pyrazine.

Molecular Properties

Compound Name2-fluoro-3-[4-[1-[[2-fluoro-3-(4-propan-2-ylpiperidin-1-yl)-4-pyridinyl]oxy]propan-2-yl]piperidin-1-yl]pyrazine
PubChem CID176552717
Molecular FormulaC25H35F2N5O
Molecular Weight459.59 g/mol
Exact Mass459.28
IUPAC Name2-fluoro-3-[4-[1-[[2-fluoro-3-(4-propan-2-ylpiperidin-1-yl)-4-pyridinyl]oxy]propan-2-yl]piperidin-1-yl]pyrazine
SMILESCC(C)C1CCN(c2c(OCC(C)C3CCN(c4nccnc4F)CC3)ccnc2F)CC1
InChIInChI=1S/C25H35F2N5O/c1-17(2)19-5-12-31(13-6-19)22-21(4-9-28-23(22)26)33-16-18(3)20-7-14-32(15-8-20)25-24(27)29-10-11-30-25/h4,9-11,17-20H,5-8,12-16H2,1-3H3
InChIKeyXPLSTPCWPFEPCZ-UHFFFAOYSA-N
XLogP4.95
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-fluoro-3-[4-[1-[[2-fluoro-3-(4-propan-2-ylpiperidin-1-yl)-4-pyridinyl]oxy]propan-2-yl]piperidin-1-yl]pyrazine 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-fluoro-3-[4-[1-[[2-fluoro-3-(4-propan-2-ylpiperidin-1-yl)-4-pyridinyl]oxy]propan-2-yl]piperidin-1-yl]pyrazine?
The IUPAC name of 2-fluoro-3-[4-[1-[[2-fluoro-3-(4-propan-2-ylpiperidin-1-yl)-4-pyridinyl]oxy]propan-2-yl]piperidin-1-yl]pyrazine (CID 176552717) is 2-fluoro-3-[4-[1-[[2-fluoro-3-(4-propan-2-ylpiperidin-1-yl)-4-pyridinyl]oxy]propan-2-yl]piperidin-1-yl]pyrazine.
What is the SMILES notation for 2-fluoro-3-[4-[1-[[2-fluoro-3-(4-propan-2-ylpiperidin-1-yl)-4-pyridinyl]oxy]propan-2-yl]piperidin-1-yl]pyrazine?
The canonical SMILES for 2-fluoro-3-[4-[1-[[2-fluoro-3-(4-propan-2-ylpiperidin-1-yl)-4-pyridinyl]oxy]propan-2-yl]piperidin-1-yl]pyrazine is CC(C)C1CCN(c2c(OCC(C)C3CCN(c4nccnc4F)CC3)ccnc2F)CC1.
What is the InChIKey of 2-fluoro-3-[4-[1-[[2-fluoro-3-(4-propan-2-ylpiperidin-1-yl)-4-pyridinyl]oxy]propan-2-yl]piperidin-1-yl]pyrazine?
The InChIKey is XPLSTPCWPFEPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35F2N5O/c1-17(2)19-5-12-31(13-6-19)22-21(4-9-28-23(22)26)33-16-18(3)20-7-14-32(15-8-20)25-24(27)29-10-11-30-25/h4,9-11,17-20H,5-8,12-16H2,1-3H3.
What are the key properties of 2-fluoro-3-[4-[1-[[2-fluoro-3-(4-propan-2-ylpiperidin-1-yl)-4-pyridinyl]oxy]propan-2-yl]piperidin-1-yl]pyrazine?
2-fluoro-3-[4-[1-[[2-fluoro-3-(4-propan-2-ylpiperidin-1-yl)-4-pyridinyl]oxy]propan-2-yl]piperidin-1-yl]pyrazine has a molecular weight of 459.59 g/mol, XLogP of 4.95, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-[4-[1-[[2-fluoro-3-(4-propan-2-ylpiperidin-1-yl)-4-pyridinyl]oxy]propan-2-yl]piperidin-1-yl]pyrazine is sourced from PubChem (CID 176552717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).