[4-[5-(cyclopropylamino)pyrazine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone

C17H19N5O3 — CID 109271816

IUPAC[4-[5-(cyclopropylamino)pyrazine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1cnc(NC2CC2)cn1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C17H19N5O3/c23-16(13-10-19-15(11-18-13)20-12-3-4-12)21-5-7-22(8-6-21)17(24)14-2-1-9-25-14/h1-2,9-12H,3-8H2,(H,19,20)
InChIKeyIZKNGABNFRUUNL-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.24
Rot. Bonds4

About [4-[5-(cyclopropylamino)pyrazine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone

[4-[5-(cyclopropylamino)pyrazine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 109271816) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is [4-[5-(cyclopropylamino)pyrazine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[5-(cyclopropylamino)pyrazine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID109271816
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name[4-[5-(cyclopropylamino)pyrazine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1cnc(NC2CC2)cn1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C17H19N5O3/c23-16(13-10-19-15(11-18-13)20-12-3-4-12)21-5-7-22(8-6-21)17(24)14-2-1-9-25-14/h1-2,9-12H,3-8H2,(H,19,20)
InChIKeyIZKNGABNFRUUNL-UHFFFAOYSA-N
XLogP1.24
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

furan-2-yl-[4-[(5-nitro-2-pyridinyl)amino]piperidin-1-yl]methanone
CID 18144589
[4-[5-(3-fluoroanilino)pyrazine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109286543
furan-2-yl-[4-[5-(pyridin-2-ylmethylamino)pyrazine-2-carbonyl]piperazin-1-yl]methanone
CID 109283092
[2-(cyclopentylamino)-4-pyridinyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 109166110
furan-2-yl-[4-[[5-(trifluoromethoxy)-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 133489078
[5-(cycloheptylamino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 109278127
[4-[2-(cyclopropylamino)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109319711
[4-[4-(cyclopropylamino)-6-phenylpyrimidin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 112932981
N-cyclopropyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109295782
[5-(cyclopentylamino)pyrazin-2-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109274083
[4-[2-(cyclohexylamino)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109322670
[4-(cycloheptylamino)piperidin-1-yl]-(furan-2-yl)methanone
CID 71896264

Frequently Asked Questions

What is the IUPAC name of [4-[5-(cyclopropylamino)pyrazine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[5-(cyclopropylamino)pyrazine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone (CID 109271816) is [4-[5-(cyclopropylamino)pyrazine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[5-(cyclopropylamino)pyrazine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[5-(cyclopropylamino)pyrazine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone is O=C(c1cnc(NC2CC2)cn1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of [4-[5-(cyclopropylamino)pyrazine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is IZKNGABNFRUUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c23-16(13-10-19-15(11-18-13)20-12-3-4-12)21-5-7-22(8-6-21)17(24)14-2-1-9-25-14/h1-2,9-12H,3-8H2,(H,19,20).
What are the key properties of [4-[5-(cyclopropylamino)pyrazine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone?
[4-[5-(cyclopropylamino)pyrazine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 341.37 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(cyclopropylamino)pyrazine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 109271816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).