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

C20H20N6O3 — CID 109283092

IUPACfuran-2-yl-[4-[5-(pyridin-2-ylmethylamino)pyrazine-2-carbonyl]piperazin-1-yl]methanone
SMILESO=C(c1cnc(NCc2ccccn2)cn1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C20H20N6O3/c27-19(25-7-9-26(10-8-25)20(28)17-5-3-11-29-17)16-13-24-18(14-22-16)23-12-15-4-1-2-6-21-15/h1-6,11,13-14H,7-10,12H2,(H,23,24)
InChIKeyXBWZZHQSPLYFRX-UHFFFAOYSA-N
MW392.42 g/mol
LogP1.67
Rot. Bonds5

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

furan-2-yl-[4-[5-(pyridin-2-ylmethylamino)pyrazine-2-carbonyl]piperazin-1-yl]methanone (PubChem CID 109283092) has the molecular formula C20H20N6O3 and a molecular weight of 392.42 g/mol. Its IUPAC name is furan-2-yl-[4-[5-(pyridin-2-ylmethylamino)pyrazine-2-carbonyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[5-(pyridin-2-ylmethylamino)pyrazine-2-carbonyl]piperazin-1-yl]methanone
PubChem CID109283092
Molecular FormulaC20H20N6O3
Molecular Weight392.42 g/mol
Exact Mass392.16
IUPAC Namefuran-2-yl-[4-[5-(pyridin-2-ylmethylamino)pyrazine-2-carbonyl]piperazin-1-yl]methanone
SMILESO=C(c1cnc(NCc2ccccn2)cn1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C20H20N6O3/c27-19(25-7-9-26(10-8-25)20(28)17-5-3-11-29-17)16-13-24-18(14-22-16)23-12-15-4-1-2-6-21-15/h1-6,11,13-14H,7-10,12H2,(H,23,24)
InChIKeyXBWZZHQSPLYFRX-UHFFFAOYSA-N
XLogP1.67
TPSA104.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[5-(cyclopropylamino)pyrazine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109271816
(3-methylpiperidin-1-yl)-[5-(pyridin-2-ylmethylamino)pyrazin-2-yl]methanone
CID 109283106
2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 109136889
azepan-1-yl-[5-(furan-2-ylmethylamino)pyrazin-2-yl]methanone
CID 109279529
4-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212692
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 109258548
[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-pyridin-2-ylmethanone
CID 110807707
N-(pyridin-2-ylmethyl)-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide
CID 109282922
[4-[5-(3-fluoroanilino)pyrazine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109286543
[4-(2-fluorophenyl)piperazin-1-yl]-[5-(furan-2-ylmethylamino)pyrazin-2-yl]methanone
CID 109279509
[5-[(4-fluorophenyl)methylamino]pyrazin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109281692
[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111917

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[5-(pyridin-2-ylmethylamino)pyrazine-2-carbonyl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[5-(pyridin-2-ylmethylamino)pyrazine-2-carbonyl]piperazin-1-yl]methanone (CID 109283092) is furan-2-yl-[4-[5-(pyridin-2-ylmethylamino)pyrazine-2-carbonyl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[5-(pyridin-2-ylmethylamino)pyrazine-2-carbonyl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[5-(pyridin-2-ylmethylamino)pyrazine-2-carbonyl]piperazin-1-yl]methanone is O=C(c1cnc(NCc2ccccn2)cn1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of furan-2-yl-[4-[5-(pyridin-2-ylmethylamino)pyrazine-2-carbonyl]piperazin-1-yl]methanone?
The InChIKey is XBWZZHQSPLYFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O3/c27-19(25-7-9-26(10-8-25)20(28)17-5-3-11-29-17)16-13-24-18(14-22-16)23-12-15-4-1-2-6-21-15/h1-6,11,13-14H,7-10,12H2,(H,23,24).
What are the key properties of furan-2-yl-[4-[5-(pyridin-2-ylmethylamino)pyrazine-2-carbonyl]piperazin-1-yl]methanone?
furan-2-yl-[4-[5-(pyridin-2-ylmethylamino)pyrazine-2-carbonyl]piperazin-1-yl]methanone has a molecular weight of 392.42 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[5-(pyridin-2-ylmethylamino)pyrazine-2-carbonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 109283092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).