2-[4-[(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine

C25H26FN7 — CID 59321922

IUPAC2-[4-[(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine
SMILESCc1nn(-c2ccncc2)c(C)c1CN1CCN(c2nccnc2-c2ccc(F)cc2)CC1
InChIInChI=1S/C25H26FN7/c1-18-23(19(2)33(30-18)22-7-9-27-10-8-22)17-31-13-15-32(16-14-31)25-24(28-11-12-29-25)20-3-5-21(26)6-4-20/h3-12H,13-17H2,1-2H3
InChIKeyMVQKTKMIUBVPLR-UHFFFAOYSA-N
MW443.53 g/mol
LogP3.80
Rot. Bonds5

About 2-[4-[(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine

2-[4-[(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine (PubChem CID 59321922) has the molecular formula C25H26FN7 and a molecular weight of 443.53 g/mol. Its IUPAC name is 2-[4-[(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine.

Molecular Properties

Compound Name2-[4-[(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine
PubChem CID59321922
Molecular FormulaC25H26FN7
Molecular Weight443.53 g/mol
Exact Mass443.22
IUPAC Name2-[4-[(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine
SMILESCc1nn(-c2ccncc2)c(C)c1CN1CCN(c2nccnc2-c2ccc(F)cc2)CC1
InChIInChI=1S/C25H26FN7/c1-18-23(19(2)33(30-18)22-7-9-27-10-8-22)17-31-13-15-32(16-14-31)25-24(28-11-12-29-25)20-3-5-21(26)6-4-20/h3-12H,13-17H2,1-2H3
InChIKeyMVQKTKMIUBVPLR-UHFFFAOYSA-N
XLogP3.80
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine?
The IUPAC name of 2-[4-[(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine (CID 59321922) is 2-[4-[(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine.
What is the SMILES notation for 2-[4-[(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine?
The canonical SMILES for 2-[4-[(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine is Cc1nn(-c2ccncc2)c(C)c1CN1CCN(c2nccnc2-c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-[(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine?
The InChIKey is MVQKTKMIUBVPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN7/c1-18-23(19(2)33(30-18)22-7-9-27-10-8-22)17-31-13-15-32(16-14-31)25-24(28-11-12-29-25)20-3-5-21(26)6-4-20/h3-12H,13-17H2,1-2H3.
What are the key properties of 2-[4-[(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine?
2-[4-[(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine has a molecular weight of 443.53 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine is sourced from PubChem (CID 59321922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).