bis(1H-imidazole);1,5-naphthyridine;2,3,4,5,6-pentahydroxyhexanoic acid

C20H26N6O7 — CID 175204146

IUPACbis(1H-imidazole);1,5-naphthyridine;2,3,4,5,6-pentahydroxyhexanoic acid
SMILESO=C(O)C(O)C(O)C(O)C(O)CO.c1c[nH]cn1.c1c[nH]cn1.c1cnc2cccnc2c1
InChIInChI=1S/C8H6N2.C6H12O7.2C3H4N2/c1-3-7-8(9-5-1)4-2-6-10-7;7-1-2(8)3(9)4(10)5(11)6(12)13;2*1-2-5-3-4-1/h1-6H;2-5,7-11H,1H2,(H,12,13);2*1-3H,(H,4,5)
InChIKeyBTHZPBOYULOWLS-UHFFFAOYSA-N
MW462.46 g/mol
LogP-1.04
Rot. Bonds5

About bis(1H-imidazole);1,5-naphthyridine;2,3,4,5,6-pentahydroxyhexanoic acid

bis(1H-imidazole);1,5-naphthyridine;2,3,4,5,6-pentahydroxyhexanoic acid (PubChem CID 175204146) has the molecular formula C20H26N6O7 and a molecular weight of 462.46 g/mol. Its IUPAC name is bis(1H-imidazole);1,5-naphthyridine;2,3,4,5,6-pentahydroxyhexanoic acid.

Molecular Properties

Compound Namebis(1H-imidazole);1,5-naphthyridine;2,3,4,5,6-pentahydroxyhexanoic acid
PubChem CID175204146
Molecular FormulaC20H26N6O7
Molecular Weight462.46 g/mol
Exact Mass462.19
IUPAC Namebis(1H-imidazole);1,5-naphthyridine;2,3,4,5,6-pentahydroxyhexanoic acid
SMILESO=C(O)C(O)C(O)C(O)C(O)CO.c1c[nH]cn1.c1c[nH]cn1.c1cnc2cccnc2c1
InChIInChI=1S/C8H6N2.C6H12O7.2C3H4N2/c1-3-7-8(9-5-1)4-2-6-10-7;7-1-2(8)3(9)4(10)5(11)6(12)13;2*1-2-5-3-4-1/h1-6H;2-5,7-11H,1H2,(H,12,13);2*1-3H,(H,4,5)
InChIKeyBTHZPBOYULOWLS-UHFFFAOYSA-N
XLogP-1.04
TPSA221.59 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.46
LogP ≤ 5-1.04
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

Analyze bis(1H-imidazole);1,5-naphthyridine;2,3,4,5,6-pentahydroxyhexanoic acid with MolForge

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Related Compounds

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azane;bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid)
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Frequently Asked Questions

What is the IUPAC name of bis(1H-imidazole);1,5-naphthyridine;2,3,4,5,6-pentahydroxyhexanoic acid?
The IUPAC name of bis(1H-imidazole);1,5-naphthyridine;2,3,4,5,6-pentahydroxyhexanoic acid (CID 175204146) is bis(1H-imidazole);1,5-naphthyridine;2,3,4,5,6-pentahydroxyhexanoic acid.
What is the SMILES notation for bis(1H-imidazole);1,5-naphthyridine;2,3,4,5,6-pentahydroxyhexanoic acid?
The canonical SMILES for bis(1H-imidazole);1,5-naphthyridine;2,3,4,5,6-pentahydroxyhexanoic acid is O=C(O)C(O)C(O)C(O)C(O)CO.c1c[nH]cn1.c1c[nH]cn1.c1cnc2cccnc2c1.
What is the InChIKey of bis(1H-imidazole);1,5-naphthyridine;2,3,4,5,6-pentahydroxyhexanoic acid?
The InChIKey is BTHZPBOYULOWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2.C6H12O7.2C3H4N2/c1-3-7-8(9-5-1)4-2-6-10-7;7-1-2(8)3(9)4(10)5(11)6(12)13;2*1-2-5-3-4-1/h1-6H;2-5,7-11H,1H2,(H,12,13);2*1-3H,(H,4,5).
What are the key properties of bis(1H-imidazole);1,5-naphthyridine;2,3,4,5,6-pentahydroxyhexanoic acid?
bis(1H-imidazole);1,5-naphthyridine;2,3,4,5,6-pentahydroxyhexanoic acid has a molecular weight of 462.46 g/mol, XLogP of -1.04, 5 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1H-imidazole);1,5-naphthyridine;2,3,4,5,6-pentahydroxyhexanoic acid is sourced from PubChem (CID 175204146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).