2-amino-3-[2-(4-furo[2,3-c]pyridin-7-ylpiperazin-1-yl)ethylamino]naphthalene-1,4-dione;hydroxyazanium

C23H27N6O4+ — CID 143764520

IUPAC2-amino-3-[2-(4-furo[2,3-c]pyridin-7-ylpiperazin-1-yl)ethylamino]naphthalene-1,4-dione;hydroxyazanium
SMILESNC1=C(NCCN2CCN(c3nccc4ccoc34)CC2)C(=O)c2ccccc2C1=O.[NH3+]O
InChIInChI=1S/C23H23N5O3.H4NO/c24-18-19(21(30)17-4-2-1-3-16(17)20(18)29)25-8-9-27-10-12-28(13-11-27)23-22-15(5-7-26-23)6-14-31-22;1-2/h1-7,14,25H,8-13,24H2;2H,1H3/q;+1
InChIKeyOMGSUSWJNNNWJF-UHFFFAOYSA-N
MW451.51 g/mol
LogP0.41
Rot. Bonds5

About 2-amino-3-[2-(4-furo[2,3-c]pyridin-7-ylpiperazin-1-yl)ethylamino]naphthalene-1,4-dione;hydroxyazanium

2-amino-3-[2-(4-furo[2,3-c]pyridin-7-ylpiperazin-1-yl)ethylamino]naphthalene-1,4-dione;hydroxyazanium (PubChem CID 143764520) has the molecular formula C23H27N6O4+ and a molecular weight of 451.51 g/mol. Its IUPAC name is 2-amino-3-[2-(4-furo[2,3-c]pyridin-7-ylpiperazin-1-yl)ethylamino]naphthalene-1,4-dione;hydroxyazanium.

Molecular Properties

Compound Name2-amino-3-[2-(4-furo[2,3-c]pyridin-7-ylpiperazin-1-yl)ethylamino]naphthalene-1,4-dione;hydroxyazanium
PubChem CID143764520
Molecular FormulaC23H27N6O4+
Molecular Weight451.51 g/mol
Exact Mass451.21
IUPAC Name2-amino-3-[2-(4-furo[2,3-c]pyridin-7-ylpiperazin-1-yl)ethylamino]naphthalene-1,4-dione;hydroxyazanium
SMILESNC1=C(NCCN2CCN(c3nccc4ccoc34)CC2)C(=O)c2ccccc2C1=O.[NH3+]O
InChIInChI=1S/C23H23N5O3.H4NO/c24-18-19(21(30)17-4-2-1-3-16(17)20(18)29)25-8-9-27-10-12-28(13-11-27)23-22-15(5-7-26-23)6-14-31-22;1-2/h1-7,14,25H,8-13,24H2;2H,1H3/q;+1
InChIKeyOMGSUSWJNNNWJF-UHFFFAOYSA-N
XLogP0.41
TPSA152.57 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.51
LogP ≤ 50.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-(4-furo[2,3-c]pyridin-7-ylpiperazin-1-yl)ethylamino]naphthalene-1,4-dione;hydroxyazanium?
The IUPAC name of 2-amino-3-[2-(4-furo[2,3-c]pyridin-7-ylpiperazin-1-yl)ethylamino]naphthalene-1,4-dione;hydroxyazanium (CID 143764520) is 2-amino-3-[2-(4-furo[2,3-c]pyridin-7-ylpiperazin-1-yl)ethylamino]naphthalene-1,4-dione;hydroxyazanium.
What is the SMILES notation for 2-amino-3-[2-(4-furo[2,3-c]pyridin-7-ylpiperazin-1-yl)ethylamino]naphthalene-1,4-dione;hydroxyazanium?
The canonical SMILES for 2-amino-3-[2-(4-furo[2,3-c]pyridin-7-ylpiperazin-1-yl)ethylamino]naphthalene-1,4-dione;hydroxyazanium is NC1=C(NCCN2CCN(c3nccc4ccoc34)CC2)C(=O)c2ccccc2C1=O.[NH3+]O.
What is the InChIKey of 2-amino-3-[2-(4-furo[2,3-c]pyridin-7-ylpiperazin-1-yl)ethylamino]naphthalene-1,4-dione;hydroxyazanium?
The InChIKey is OMGSUSWJNNNWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3.H4NO/c24-18-19(21(30)17-4-2-1-3-16(17)20(18)29)25-8-9-27-10-12-28(13-11-27)23-22-15(5-7-26-23)6-14-31-22;1-2/h1-7,14,25H,8-13,24H2;2H,1H3/q;+1.
What are the key properties of 2-amino-3-[2-(4-furo[2,3-c]pyridin-7-ylpiperazin-1-yl)ethylamino]naphthalene-1,4-dione;hydroxyazanium?
2-amino-3-[2-(4-furo[2,3-c]pyridin-7-ylpiperazin-1-yl)ethylamino]naphthalene-1,4-dione;hydroxyazanium has a molecular weight of 451.51 g/mol, XLogP of 0.41, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-(4-furo[2,3-c]pyridin-7-ylpiperazin-1-yl)ethylamino]naphthalene-1,4-dione;hydroxyazanium is sourced from PubChem (CID 143764520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).