7-imidazol-1-ylspiro[4H-imidazo[4,5-b]pyridine-2,1'-cyclohexane]-5-one

C14H15N5O — CID 10683405

IUPAC7-imidazol-1-ylspiro[4H-imidazo[4,5-b]pyridine-2,1'-cyclohexane]-5-one
SMILESO=c1cc(-n2ccnc2)c2c([nH]1)=NC1(CCCCC1)N=2
InChIInChI=1S/C14H15N5O/c20-11-8-10(19-7-6-15-9-19)12-13(16-11)18-14(17-12)4-2-1-3-5-14/h6-9H,1-5H2,(H,16,18,20)
InChIKeyAKTVGWNXJDHPEG-UHFFFAOYSA-N
MW269.31 g/mol
LogP0.47
Rot. Bonds1

About 7-imidazol-1-ylspiro[4H-imidazo[4,5-b]pyridine-2,1'-cyclohexane]-5-one

7-imidazol-1-ylspiro[4H-imidazo[4,5-b]pyridine-2,1'-cyclohexane]-5-one (PubChem CID 10683405) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 7-imidazol-1-ylspiro[4H-imidazo[4,5-b]pyridine-2,1'-cyclohexane]-5-one.

Molecular Properties

Compound Name7-imidazol-1-ylspiro[4H-imidazo[4,5-b]pyridine-2,1'-cyclohexane]-5-one
PubChem CID10683405
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name7-imidazol-1-ylspiro[4H-imidazo[4,5-b]pyridine-2,1'-cyclohexane]-5-one
SMILESO=c1cc(-n2ccnc2)c2c([nH]1)=NC1(CCCCC1)N=2
InChIInChI=1S/C14H15N5O/c20-11-8-10(19-7-6-15-9-19)12-13(16-11)18-14(17-12)4-2-1-3-5-14/h6-9H,1-5H2,(H,16,18,20)
InChIKeyAKTVGWNXJDHPEG-UHFFFAOYSA-N
XLogP0.47
TPSA75.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-imidazol-1-ylspiro[4H-imidazo[4,5-b]pyridine-2,1'-cyclohexane]-5-one?
The IUPAC name of 7-imidazol-1-ylspiro[4H-imidazo[4,5-b]pyridine-2,1'-cyclohexane]-5-one (CID 10683405) is 7-imidazol-1-ylspiro[4H-imidazo[4,5-b]pyridine-2,1'-cyclohexane]-5-one.
What is the SMILES notation for 7-imidazol-1-ylspiro[4H-imidazo[4,5-b]pyridine-2,1'-cyclohexane]-5-one?
The canonical SMILES for 7-imidazol-1-ylspiro[4H-imidazo[4,5-b]pyridine-2,1'-cyclohexane]-5-one is O=c1cc(-n2ccnc2)c2c([nH]1)=NC1(CCCCC1)N=2.
What is the InChIKey of 7-imidazol-1-ylspiro[4H-imidazo[4,5-b]pyridine-2,1'-cyclohexane]-5-one?
The InChIKey is AKTVGWNXJDHPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c20-11-8-10(19-7-6-15-9-19)12-13(16-11)18-14(17-12)4-2-1-3-5-14/h6-9H,1-5H2,(H,16,18,20).
What are the key properties of 7-imidazol-1-ylspiro[4H-imidazo[4,5-b]pyridine-2,1'-cyclohexane]-5-one?
7-imidazol-1-ylspiro[4H-imidazo[4,5-b]pyridine-2,1'-cyclohexane]-5-one has a molecular weight of 269.31 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-imidazol-1-ylspiro[4H-imidazo[4,5-b]pyridine-2,1'-cyclohexane]-5-one is sourced from PubChem (CID 10683405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).