2-(4-propan-2-yloxyphenyl)-3-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine

C24H32N6O — CID 59321952

IUPAC2-(4-propan-2-yloxyphenyl)-3-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine
SMILESCc1nn(C)c(C)c1CN1CCN(c2nccnc2-c2ccc(OC(C)C)cc2)CC1
InChIInChI=1S/C24H32N6O/c1-17(2)31-21-8-6-20(7-9-21)23-24(26-11-10-25-23)30-14-12-29(13-15-30)16-22-18(3)27-28(5)19(22)4/h6-11,17H,12-16H2,1-5H3
InChIKeyYPOYKFJTDJSXKX-UHFFFAOYSA-N
MW420.56 g/mol
LogP3.60
Rot. Bonds6

About 2-(4-propan-2-yloxyphenyl)-3-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine

2-(4-propan-2-yloxyphenyl)-3-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine (PubChem CID 59321952) has the molecular formula C24H32N6O and a molecular weight of 420.56 g/mol. Its IUPAC name is 2-(4-propan-2-yloxyphenyl)-3-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine.

Molecular Properties

Compound Name2-(4-propan-2-yloxyphenyl)-3-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine
PubChem CID59321952
Molecular FormulaC24H32N6O
Molecular Weight420.56 g/mol
Exact Mass420.26
IUPAC Name2-(4-propan-2-yloxyphenyl)-3-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine
SMILESCc1nn(C)c(C)c1CN1CCN(c2nccnc2-c2ccc(OC(C)C)cc2)CC1
InChIInChI=1S/C24H32N6O/c1-17(2)31-21-8-6-20(7-9-21)23-24(26-11-10-25-23)30-14-12-29(13-15-30)16-22-18(3)27-28(5)19(22)4/h6-11,17H,12-16H2,1-5H3
InChIKeyYPOYKFJTDJSXKX-UHFFFAOYSA-N
XLogP3.60
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-yloxyphenyl)-3-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine?
The IUPAC name of 2-(4-propan-2-yloxyphenyl)-3-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine (CID 59321952) is 2-(4-propan-2-yloxyphenyl)-3-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine.
What is the SMILES notation for 2-(4-propan-2-yloxyphenyl)-3-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine?
The canonical SMILES for 2-(4-propan-2-yloxyphenyl)-3-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine is Cc1nn(C)c(C)c1CN1CCN(c2nccnc2-c2ccc(OC(C)C)cc2)CC1.
What is the InChIKey of 2-(4-propan-2-yloxyphenyl)-3-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine?
The InChIKey is YPOYKFJTDJSXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O/c1-17(2)31-21-8-6-20(7-9-21)23-24(26-11-10-25-23)30-14-12-29(13-15-30)16-22-18(3)27-28(5)19(22)4/h6-11,17H,12-16H2,1-5H3.
What are the key properties of 2-(4-propan-2-yloxyphenyl)-3-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine?
2-(4-propan-2-yloxyphenyl)-3-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine has a molecular weight of 420.56 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-yloxyphenyl)-3-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine is sourced from PubChem (CID 59321952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).