[5-[4-(4-methylpiperazin-1-yl)anilino]pyrazin-2-yl]-morpholin-4-ylmethanone

C20H26N6O2 — CID 109276527

IUPAC[5-[4-(4-methylpiperazin-1-yl)anilino]pyrazin-2-yl]-morpholin-4-ylmethanone
SMILESCN1CCN(c2ccc(Nc3cnc(C(=O)N4CCOCC4)cn3)cc2)CC1
InChIInChI=1S/C20H26N6O2/c1-24-6-8-25(9-7-24)17-4-2-16(3-5-17)23-19-15-21-18(14-22-19)20(27)26-10-12-28-13-11-26/h2-5,14-15H,6-13H2,1H3,(H,22,23)
InChIKeyFHNPNOAKBLYWMZ-UHFFFAOYSA-N
MW382.47 g/mol
LogP1.44
Rot. Bonds4

About [5-[4-(4-methylpiperazin-1-yl)anilino]pyrazin-2-yl]-morpholin-4-ylmethanone

[5-[4-(4-methylpiperazin-1-yl)anilino]pyrazin-2-yl]-morpholin-4-ylmethanone (PubChem CID 109276527) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is [5-[4-(4-methylpiperazin-1-yl)anilino]pyrazin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-[4-(4-methylpiperazin-1-yl)anilino]pyrazin-2-yl]-morpholin-4-ylmethanone
PubChem CID109276527
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name[5-[4-(4-methylpiperazin-1-yl)anilino]pyrazin-2-yl]-morpholin-4-ylmethanone
SMILESCN1CCN(c2ccc(Nc3cnc(C(=O)N4CCOCC4)cn3)cc2)CC1
InChIInChI=1S/C20H26N6O2/c1-24-6-8-25(9-7-24)17-4-2-16(3-5-17)23-19-15-21-18(14-22-19)20(27)26-10-12-28-13-11-26/h2-5,14-15H,6-13H2,1H3,(H,22,23)
InChIKeyFHNPNOAKBLYWMZ-UHFFFAOYSA-N
XLogP1.44
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[5-(morpholine-4-carbonyl)pyrazin-2-yl]amino]phenyl]acetamide
CID 109276515
pyrrolidin-1-yl-[5-(4-pyrrolidin-1-ylanilino)pyrazin-2-yl]methanone
CID 109273648
1-[4-[5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone
CID 109279139
(5-anilinopyrazin-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109285593
(5-anilinopyrazin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 109289416
1-[3-[[5-(morpholine-4-carbonyl)pyrazin-2-yl]amino]phenyl]ethanone
CID 109276512
(4-methylpiperazin-1-yl)-[6-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]methanone
CID 109154661
[5-[4-chloro-3-(trifluoromethyl)anilino]pyrazin-2-yl]-morpholin-4-ylmethanone
CID 109276545
[5-(3,4-difluoroanilino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109285538
N,N-dipropyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide
CID 109288967
N,N-diethyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide
CID 109286810
[5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273663

Frequently Asked Questions

What is the IUPAC name of [5-[4-(4-methylpiperazin-1-yl)anilino]pyrazin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-[4-(4-methylpiperazin-1-yl)anilino]pyrazin-2-yl]-morpholin-4-ylmethanone (CID 109276527) is [5-[4-(4-methylpiperazin-1-yl)anilino]pyrazin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-[4-(4-methylpiperazin-1-yl)anilino]pyrazin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-[4-(4-methylpiperazin-1-yl)anilino]pyrazin-2-yl]-morpholin-4-ylmethanone is CN1CCN(c2ccc(Nc3cnc(C(=O)N4CCOCC4)cn3)cc2)CC1.
What is the InChIKey of [5-[4-(4-methylpiperazin-1-yl)anilino]pyrazin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is FHNPNOAKBLYWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-24-6-8-25(9-7-24)17-4-2-16(3-5-17)23-19-15-21-18(14-22-19)20(27)26-10-12-28-13-11-26/h2-5,14-15H,6-13H2,1H3,(H,22,23).
What are the key properties of [5-[4-(4-methylpiperazin-1-yl)anilino]pyrazin-2-yl]-morpholin-4-ylmethanone?
[5-[4-(4-methylpiperazin-1-yl)anilino]pyrazin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 382.47 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-(4-methylpiperazin-1-yl)anilino]pyrazin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 109276527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).