2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluoropiperidin-1-yl)pyrazine

C19H28FN7 — CID 59438205

IUPAC2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluoropiperidin-1-yl)pyrazine
SMILESCc1c(CN2CCN(c3nccnc3N3CCC(F)CC3)CC2)cnn1C
InChIInChI=1S/C19H28FN7/c1-15-16(13-23-24(15)2)14-25-9-11-27(12-10-25)19-18(21-5-6-22-19)26-7-3-17(20)4-8-26/h5-6,13,17H,3-4,7-12,14H2,1-2H3
InChIKeyRGHJGMSMCJOJHY-UHFFFAOYSA-N
MW373.48 g/mol
LogP1.78
Rot. Bonds4

About 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluoropiperidin-1-yl)pyrazine

2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluoropiperidin-1-yl)pyrazine (PubChem CID 59438205) has the molecular formula C19H28FN7 and a molecular weight of 373.48 g/mol. Its IUPAC name is 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluoropiperidin-1-yl)pyrazine.

Molecular Properties

Compound Name2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluoropiperidin-1-yl)pyrazine
PubChem CID59438205
Molecular FormulaC19H28FN7
Molecular Weight373.48 g/mol
Exact Mass373.24
IUPAC Name2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluoropiperidin-1-yl)pyrazine
SMILESCc1c(CN2CCN(c3nccnc3N3CCC(F)CC3)CC2)cnn1C
InChIInChI=1S/C19H28FN7/c1-15-16(13-23-24(15)2)14-25-9-11-27(12-10-25)19-18(21-5-6-22-19)26-7-3-17(20)4-8-26/h5-6,13,17H,3-4,7-12,14H2,1-2H3
InChIKeyRGHJGMSMCJOJHY-UHFFFAOYSA-N
XLogP1.78
TPSA53.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluoropiperidin-1-yl)pyrazine?
The IUPAC name of 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluoropiperidin-1-yl)pyrazine (CID 59438205) is 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluoropiperidin-1-yl)pyrazine.
What is the SMILES notation for 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluoropiperidin-1-yl)pyrazine?
The canonical SMILES for 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluoropiperidin-1-yl)pyrazine is Cc1c(CN2CCN(c3nccnc3N3CCC(F)CC3)CC2)cnn1C.
What is the InChIKey of 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluoropiperidin-1-yl)pyrazine?
The InChIKey is RGHJGMSMCJOJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN7/c1-15-16(13-23-24(15)2)14-25-9-11-27(12-10-25)19-18(21-5-6-22-19)26-7-3-17(20)4-8-26/h5-6,13,17H,3-4,7-12,14H2,1-2H3.
What are the key properties of 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluoropiperidin-1-yl)pyrazine?
2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluoropiperidin-1-yl)pyrazine has a molecular weight of 373.48 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluoropiperidin-1-yl)pyrazine is sourced from PubChem (CID 59438205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).