5-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyrazine-2-carboxamide

C23H27N7O — CID 53311384

IUPAC5-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccc(C(C)C)cc2N2CCN(c3cnccn3)CC2)cn1
InChIInChI=1S/C23H27N7O/c1-16(2)18-4-5-19(28-23(31)20-14-26-17(3)13-27-20)21(12-18)29-8-10-30(11-9-29)22-15-24-6-7-25-22/h4-7,12-16H,8-11H2,1-3H3,(H,28,31)
InChIKeyZSOIVSJGZOKNIY-UHFFFAOYSA-N
MW417.52 g/mol
LogP3.28
Rot. Bonds5

About 5-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyrazine-2-carboxamide

5-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyrazine-2-carboxamide (PubChem CID 53311384) has the molecular formula C23H27N7O and a molecular weight of 417.52 g/mol. Its IUPAC name is 5-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyrazine-2-carboxamide
PubChem CID53311384
Molecular FormulaC23H27N7O
Molecular Weight417.52 g/mol
Exact Mass417.23
IUPAC Name5-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccc(C(C)C)cc2N2CCN(c3cnccn3)CC2)cn1
InChIInChI=1S/C23H27N7O/c1-16(2)18-4-5-19(28-23(31)20-14-26-17(3)13-27-20)21(12-18)29-8-10-30(11-9-29)22-15-24-6-7-25-22/h4-7,12-16H,8-11H2,1-3H3,(H,28,31)
InChIKeyZSOIVSJGZOKNIY-UHFFFAOYSA-N
XLogP3.28
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.52
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of 5-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyrazine-2-carboxamide (CID 53311384) is 5-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyrazine-2-carboxamide is Cc1cnc(C(=O)Nc2ccc(C(C)C)cc2N2CCN(c3cnccn3)CC2)cn1.
What is the InChIKey of 5-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyrazine-2-carboxamide?
The InChIKey is ZSOIVSJGZOKNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O/c1-16(2)18-4-5-19(28-23(31)20-14-26-17(3)13-27-20)21(12-18)29-8-10-30(11-9-29)22-15-24-6-7-25-22/h4-7,12-16H,8-11H2,1-3H3,(H,28,31).
What are the key properties of 5-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyrazine-2-carboxamide?
5-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyrazine-2-carboxamide has a molecular weight of 417.52 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 53311384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).