2-[2-(2-fluorophenyl)-4-pyridinyl]-6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]pyrazine

C25H24FN5O2 — CID 66652885

IUPAC2-[2-(2-fluorophenyl)-4-pyridinyl]-6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]pyrazine
SMILESFc1ccccc1-c1cc(-c2cncc(-c3cnn(CCOC4CCCCO4)c3)n2)ccn1
InChIInChI=1S/C25H24FN5O2/c26-21-6-2-1-5-20(21)22-13-18(8-9-28-22)23-15-27-16-24(30-23)19-14-29-31(17-19)10-12-33-25-7-3-4-11-32-25/h1-2,5-6,8-9,13-17,25H,3-4,7,10-12H2
InChIKeyHEUCIEIYZWTJKQ-UHFFFAOYSA-N
MW445.50 g/mol
LogP4.75
Rot. Bonds7

About 2-[2-(2-fluorophenyl)-4-pyridinyl]-6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]pyrazine

2-[2-(2-fluorophenyl)-4-pyridinyl]-6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]pyrazine (PubChem CID 66652885) has the molecular formula C25H24FN5O2 and a molecular weight of 445.50 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)-4-pyridinyl]-6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]pyrazine.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)-4-pyridinyl]-6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]pyrazine
PubChem CID66652885
Molecular FormulaC25H24FN5O2
Molecular Weight445.50 g/mol
Exact Mass445.19
IUPAC Name2-[2-(2-fluorophenyl)-4-pyridinyl]-6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]pyrazine
SMILESFc1ccccc1-c1cc(-c2cncc(-c3cnn(CCOC4CCCCO4)c3)n2)ccn1
InChIInChI=1S/C25H24FN5O2/c26-21-6-2-1-5-20(21)22-13-18(8-9-28-22)23-15-27-16-24(30-23)19-14-29-31(17-19)10-12-33-25-7-3-4-11-32-25/h1-2,5-6,8-9,13-17,25H,3-4,7,10-12H2
InChIKeyHEUCIEIYZWTJKQ-UHFFFAOYSA-N
XLogP4.75
TPSA74.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenyl)-4-pyridinyl]-6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]pyrazine?
The IUPAC name of 2-[2-(2-fluorophenyl)-4-pyridinyl]-6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]pyrazine (CID 66652885) is 2-[2-(2-fluorophenyl)-4-pyridinyl]-6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]pyrazine.
What is the SMILES notation for 2-[2-(2-fluorophenyl)-4-pyridinyl]-6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]pyrazine?
The canonical SMILES for 2-[2-(2-fluorophenyl)-4-pyridinyl]-6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]pyrazine is Fc1ccccc1-c1cc(-c2cncc(-c3cnn(CCOC4CCCCO4)c3)n2)ccn1.
What is the InChIKey of 2-[2-(2-fluorophenyl)-4-pyridinyl]-6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]pyrazine?
The InChIKey is HEUCIEIYZWTJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O2/c26-21-6-2-1-5-20(21)22-13-18(8-9-28-22)23-15-27-16-24(30-23)19-14-29-31(17-19)10-12-33-25-7-3-4-11-32-25/h1-2,5-6,8-9,13-17,25H,3-4,7,10-12H2.
What are the key properties of 2-[2-(2-fluorophenyl)-4-pyridinyl]-6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]pyrazine?
2-[2-(2-fluorophenyl)-4-pyridinyl]-6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]pyrazine has a molecular weight of 445.50 g/mol, XLogP of 4.75, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenyl)-4-pyridinyl]-6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]pyrazine is sourced from PubChem (CID 66652885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).