[4-[6-(5-methyl-3-pyridinyl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone

C21H21N5O — CID 129053888

IUPAC[4-[6-(5-methyl-3-pyridinyl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone
SMILESCc1cncc(-c2cncc(-c3ccc(C(=O)N4CCNCC4)cc3)n2)c1
InChIInChI=1S/C21H21N5O/c1-15-10-18(12-23-11-15)20-14-24-13-19(25-20)16-2-4-17(5-3-16)21(27)26-8-6-22-7-9-26/h2-5,10-14,22H,6-9H2,1H3
InChIKeyFLHMSRJSPDACJQ-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.56
Rot. Bonds3

About [4-[6-(5-methyl-3-pyridinyl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone

[4-[6-(5-methyl-3-pyridinyl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone (PubChem CID 129053888) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is [4-[6-(5-methyl-3-pyridinyl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[4-[6-(5-methyl-3-pyridinyl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone
PubChem CID129053888
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name[4-[6-(5-methyl-3-pyridinyl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone
SMILESCc1cncc(-c2cncc(-c3ccc(C(=O)N4CCNCC4)cc3)n2)c1
InChIInChI=1S/C21H21N5O/c1-15-10-18(12-23-11-15)20-14-24-13-19(25-20)16-2-4-17(5-3-16)21(27)26-8-6-22-7-9-26/h2-5,10-14,22H,6-9H2,1H3
InChIKeyFLHMSRJSPDACJQ-UHFFFAOYSA-N
XLogP2.56
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[6-(5-methyl-3-pyridinyl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone?
The IUPAC name of [4-[6-(5-methyl-3-pyridinyl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone (CID 129053888) is [4-[6-(5-methyl-3-pyridinyl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone.
What is the SMILES notation for [4-[6-(5-methyl-3-pyridinyl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone?
The canonical SMILES for [4-[6-(5-methyl-3-pyridinyl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone is Cc1cncc(-c2cncc(-c3ccc(C(=O)N4CCNCC4)cc3)n2)c1.
What is the InChIKey of [4-[6-(5-methyl-3-pyridinyl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone?
The InChIKey is FLHMSRJSPDACJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-15-10-18(12-23-11-15)20-14-24-13-19(25-20)16-2-4-17(5-3-16)21(27)26-8-6-22-7-9-26/h2-5,10-14,22H,6-9H2,1H3.
What are the key properties of [4-[6-(5-methyl-3-pyridinyl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone?
[4-[6-(5-methyl-3-pyridinyl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone has a molecular weight of 359.43 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(5-methyl-3-pyridinyl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 129053888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).