(4-methylpiperazin-1-yl)-[5-(2-phenoxyanilino)pyrazin-2-yl]methanone

C22H23N5O2 — CID 109278224

IUPAC(4-methylpiperazin-1-yl)-[5-(2-phenoxyanilino)pyrazin-2-yl]methanone
SMILESCN1CCN(C(=O)c2cnc(Nc3ccccc3Oc3ccccc3)cn2)CC1
InChIInChI=1S/C22H23N5O2/c1-26-11-13-27(14-12-26)22(28)19-15-24-21(16-23-19)25-18-9-5-6-10-20(18)29-17-7-3-2-4-8-17/h2-10,15-16H,11-14H2,1H3,(H,24,25)
InChIKeyWVTHVKBMOUGCCJ-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.40
Rot. Bonds5

About (4-methylpiperazin-1-yl)-[5-(2-phenoxyanilino)pyrazin-2-yl]methanone

(4-methylpiperazin-1-yl)-[5-(2-phenoxyanilino)pyrazin-2-yl]methanone (PubChem CID 109278224) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[5-(2-phenoxyanilino)pyrazin-2-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[5-(2-phenoxyanilino)pyrazin-2-yl]methanone
PubChem CID109278224
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name(4-methylpiperazin-1-yl)-[5-(2-phenoxyanilino)pyrazin-2-yl]methanone
SMILESCN1CCN(C(=O)c2cnc(Nc3ccccc3Oc3ccccc3)cn2)CC1
InChIInChI=1S/C22H23N5O2/c1-26-11-13-27(14-12-26)22(28)19-15-24-21(16-23-19)25-18-9-5-6-10-20(18)29-17-7-3-2-4-8-17/h2-10,15-16H,11-14H2,1H3,(H,24,25)
InChIKeyWVTHVKBMOUGCCJ-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(2-chloroanilino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 109278166
4-[5-(2-methoxyanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde
CID 109278823
[5-(2,3-dichloroanilino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 109278233
[5-(2-phenoxyanilino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182693
[5-(2-methoxyanilino)pyrazin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109286594
1-[4-[5-(2-methylanilino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone
CID 109279080
5-(4-methylpiperazin-1-yl)-N-(2-phenoxyphenyl)pyrazine-2-carboxamide
CID 109278397
[5-(2-methoxyanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109288724
[5-(2,3-dimethylanilino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109285519
[5-(2-tert-butylanilino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273606
4-[5-(2,3-dimethylanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde
CID 109278797
(4-methylpiperidin-1-yl)-[5-(2-propan-2-ylanilino)pyrazin-2-yl]methanone
CID 109275097

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[5-(2-phenoxyanilino)pyrazin-2-yl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[5-(2-phenoxyanilino)pyrazin-2-yl]methanone (CID 109278224) is (4-methylpiperazin-1-yl)-[5-(2-phenoxyanilino)pyrazin-2-yl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[5-(2-phenoxyanilino)pyrazin-2-yl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[5-(2-phenoxyanilino)pyrazin-2-yl]methanone is CN1CCN(C(=O)c2cnc(Nc3ccccc3Oc3ccccc3)cn2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[5-(2-phenoxyanilino)pyrazin-2-yl]methanone?
The InChIKey is WVTHVKBMOUGCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-26-11-13-27(14-12-26)22(28)19-15-24-21(16-23-19)25-18-9-5-6-10-20(18)29-17-7-3-2-4-8-17/h2-10,15-16H,11-14H2,1H3,(H,24,25).
What are the key properties of (4-methylpiperazin-1-yl)-[5-(2-phenoxyanilino)pyrazin-2-yl]methanone?
(4-methylpiperazin-1-yl)-[5-(2-phenoxyanilino)pyrazin-2-yl]methanone has a molecular weight of 389.46 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[5-(2-phenoxyanilino)pyrazin-2-yl]methanone is sourced from PubChem (CID 109278224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).