(5-anilinopyrazin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone

C22H23N5O2 — CID 109289416

IUPAC(5-anilinopyrazin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)c3cnc(Nc4ccccc4)cn3)CC2)cc1
InChIInChI=1S/C22H23N5O2/c1-29-19-9-7-18(8-10-19)26-11-13-27(14-12-26)22(28)20-15-24-21(16-23-20)25-17-5-3-2-4-6-17/h2-10,15-16H,11-14H2,1H3,(H,24,25)
InChIKeySXRWYNGLMFNXFF-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.19
Rot. Bonds5

About (5-anilinopyrazin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone

(5-anilinopyrazin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 109289416) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is (5-anilinopyrazin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-anilinopyrazin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID109289416
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name(5-anilinopyrazin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)c3cnc(Nc4ccccc4)cn3)CC2)cc1
InChIInChI=1S/C22H23N5O2/c1-29-19-9-7-18(8-10-19)26-11-13-27(14-12-26)22(28)20-15-24-21(16-23-20)25-17-5-3-2-4-6-17/h2-10,15-16H,11-14H2,1H3,(H,24,25)
InChIKeySXRWYNGLMFNXFF-UHFFFAOYSA-N
XLogP3.19
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(5-anilinopyrazin-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109285593
1-[4-[5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone
CID 109279139
pyrrolidin-1-yl-[5-(4-pyrrolidin-1-ylanilino)pyrazin-2-yl]methanone
CID 109273648
(5-anilinopyrazin-2-yl)-(4-ethylpiperazin-1-yl)methanone
CID 109278481
[4-(4-methoxyphenyl)piperazin-1-yl]-quinoxalin-2-ylmethanone
CID 18192931
[5-(3,4-difluoroanilino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109285538
[5-[4-(4-methylpiperazin-1-yl)anilino]pyrazin-2-yl]-morpholin-4-ylmethanone
CID 109276527
[2-(4-methoxyanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109261137
[5-(2,3-dimethylanilino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109285519
[6-(3-methoxyanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109159643
[5-(3-methoxypropylamino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109276242
[5-(cyclohexylamino)-2-pyridinyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 109183140

Frequently Asked Questions

What is the IUPAC name of (5-anilinopyrazin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (5-anilinopyrazin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone (CID 109289416) is (5-anilinopyrazin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-anilinopyrazin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-anilinopyrazin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone is COc1ccc(N2CCN(C(=O)c3cnc(Nc4ccccc4)cn3)CC2)cc1.
What is the InChIKey of (5-anilinopyrazin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is SXRWYNGLMFNXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-29-19-9-7-18(8-10-19)26-11-13-27(14-12-26)22(28)20-15-24-21(16-23-20)25-17-5-3-2-4-6-17/h2-10,15-16H,11-14H2,1H3,(H,24,25).
What are the key properties of (5-anilinopyrazin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
(5-anilinopyrazin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 389.46 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-anilinopyrazin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 109289416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).