2-[1-[4-(4-fluorophenyl)phenyl]-4-[(4-methylpiperazin-1-yl)methyl]pyrazol-5-yl]pyrazine

C25H25FN6 — CID 142677935

IUPAC2-[1-[4-(4-fluorophenyl)phenyl]-4-[(4-methylpiperazin-1-yl)methyl]pyrazol-5-yl]pyrazine
SMILESCN1CCN(Cc2cnn(-c3ccc(-c4ccc(F)cc4)cc3)c2-c2cnccn2)CC1
InChIInChI=1S/C25H25FN6/c1-30-12-14-31(15-13-30)18-21-16-29-32(25(21)24-17-27-10-11-28-24)23-8-4-20(5-9-23)19-2-6-22(26)7-3-19/h2-11,16-17H,12-15,18H2,1H3
InChIKeyZLZPIHSABNNVNA-UHFFFAOYSA-N
MW428.52 g/mol
LogP3.88
Rot. Bonds5

About 2-[1-[4-(4-fluorophenyl)phenyl]-4-[(4-methylpiperazin-1-yl)methyl]pyrazol-5-yl]pyrazine

2-[1-[4-(4-fluorophenyl)phenyl]-4-[(4-methylpiperazin-1-yl)methyl]pyrazol-5-yl]pyrazine (PubChem CID 142677935) has the molecular formula C25H25FN6 and a molecular weight of 428.52 g/mol. Its IUPAC name is 2-[1-[4-(4-fluorophenyl)phenyl]-4-[(4-methylpiperazin-1-yl)methyl]pyrazol-5-yl]pyrazine.

Molecular Properties

Compound Name2-[1-[4-(4-fluorophenyl)phenyl]-4-[(4-methylpiperazin-1-yl)methyl]pyrazol-5-yl]pyrazine
PubChem CID142677935
Molecular FormulaC25H25FN6
Molecular Weight428.52 g/mol
Exact Mass428.21
IUPAC Name2-[1-[4-(4-fluorophenyl)phenyl]-4-[(4-methylpiperazin-1-yl)methyl]pyrazol-5-yl]pyrazine
SMILESCN1CCN(Cc2cnn(-c3ccc(-c4ccc(F)cc4)cc3)c2-c2cnccn2)CC1
InChIInChI=1S/C25H25FN6/c1-30-12-14-31(15-13-30)18-21-16-29-32(25(21)24-17-27-10-11-28-24)23-8-4-20(5-9-23)19-2-6-22(26)7-3-19/h2-11,16-17H,12-15,18H2,1H3
InChIKeyZLZPIHSABNNVNA-UHFFFAOYSA-N
XLogP3.88
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.52
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(4-fluorophenyl)phenyl]-4-[(4-methylpiperazin-1-yl)methyl]pyrazol-5-yl]pyrazine?
The IUPAC name of 2-[1-[4-(4-fluorophenyl)phenyl]-4-[(4-methylpiperazin-1-yl)methyl]pyrazol-5-yl]pyrazine (CID 142677935) is 2-[1-[4-(4-fluorophenyl)phenyl]-4-[(4-methylpiperazin-1-yl)methyl]pyrazol-5-yl]pyrazine.
What is the SMILES notation for 2-[1-[4-(4-fluorophenyl)phenyl]-4-[(4-methylpiperazin-1-yl)methyl]pyrazol-5-yl]pyrazine?
The canonical SMILES for 2-[1-[4-(4-fluorophenyl)phenyl]-4-[(4-methylpiperazin-1-yl)methyl]pyrazol-5-yl]pyrazine is CN1CCN(Cc2cnn(-c3ccc(-c4ccc(F)cc4)cc3)c2-c2cnccn2)CC1.
What is the InChIKey of 2-[1-[4-(4-fluorophenyl)phenyl]-4-[(4-methylpiperazin-1-yl)methyl]pyrazol-5-yl]pyrazine?
The InChIKey is ZLZPIHSABNNVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6/c1-30-12-14-31(15-13-30)18-21-16-29-32(25(21)24-17-27-10-11-28-24)23-8-4-20(5-9-23)19-2-6-22(26)7-3-19/h2-11,16-17H,12-15,18H2,1H3.
What are the key properties of 2-[1-[4-(4-fluorophenyl)phenyl]-4-[(4-methylpiperazin-1-yl)methyl]pyrazol-5-yl]pyrazine?
2-[1-[4-(4-fluorophenyl)phenyl]-4-[(4-methylpiperazin-1-yl)methyl]pyrazol-5-yl]pyrazine has a molecular weight of 428.52 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(4-fluorophenyl)phenyl]-4-[(4-methylpiperazin-1-yl)methyl]pyrazol-5-yl]pyrazine is sourced from PubChem (CID 142677935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).