5',7'-di(imidazol-1-yl)spiro[cyclohexane-1,2'-imidazo[4,5-b]pyridine]

C17H17N7 — CID 5325313

IUPAC5',7'-di(imidazol-1-yl)spiro[cyclohexane-1,2'-imidazo[4,5-b]pyridine]
SMILESc1cn(-c2cc(-n3ccnc3)c3c(n2)=NC2(CCCCC2)N=3)cn1
InChIInChI=1S/C17H17N7/c1-2-4-17(5-3-1)21-15-13(23-8-6-18-11-23)10-14(20-16(15)22-17)24-9-7-19-12-24/h6-12H,1-5H2
InChIKeyGBNAEESLNIYMBT-UHFFFAOYSA-N
MW319.37 g/mol
LogP1.37
Rot. Bonds2

About 5',7'-di(imidazol-1-yl)spiro[cyclohexane-1,2'-imidazo[4,5-b]pyridine]

5',7'-di(imidazol-1-yl)spiro[cyclohexane-1,2'-imidazo[4,5-b]pyridine] (PubChem CID 5325313) has the molecular formula C17H17N7 and a molecular weight of 319.37 g/mol. Its IUPAC name is 5',7'-di(imidazol-1-yl)spiro[cyclohexane-1,2'-imidazo[4,5-b]pyridine].

Molecular Properties

Compound Name5',7'-di(imidazol-1-yl)spiro[cyclohexane-1,2'-imidazo[4,5-b]pyridine]
PubChem CID5325313
Molecular FormulaC17H17N7
Molecular Weight319.37 g/mol
Exact Mass319.15
IUPAC Name5',7'-di(imidazol-1-yl)spiro[cyclohexane-1,2'-imidazo[4,5-b]pyridine]
SMILESc1cn(-c2cc(-n3ccnc3)c3c(n2)=NC2(CCCCC2)N=3)cn1
InChIInChI=1S/C17H17N7/c1-2-4-17(5-3-1)21-15-13(23-8-6-18-11-23)10-14(20-16(15)22-17)24-9-7-19-12-24/h6-12H,1-5H2
InChIKeyGBNAEESLNIYMBT-UHFFFAOYSA-N
XLogP1.37
TPSA73.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5',7'-di(imidazol-1-yl)spiro[cyclohexane-1,2'-imidazo[4,5-b]pyridine] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5'-imidazol-1-yl-N-propylspiro[cyclohexane-1,2'-imidazo[4,5-b]pyridine]-7'-amine
CID 5325314
5'-Imidazol-1-yl-7'-piperidin-1-ylspiro[cyclohexane-1,2'-imidazo[4,5-b]pyridine]
CID 5325315
7'-Imidazol-1-yl-5'-methoxyspiro[cyclohexane-1,2'-imidazo[4,5-b]pyridine]
CID 10612975
4'-Imidazol-1-ylspiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine]
CID 10753378
7-Imidazol-1-ylspiro[1,3,5,10,11,12-hexazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaene-4,1'-cyclohexane]
CID 10780125
1-(2-Imidazol-1-ylcyclopenten-1-yl)imidazole
CID 11138110
1-(2-Imidazol-1-ylcyclohex-2-en-1-yl)imidazole
CID 140148942
1-(2-Imidazol-1-ylcyclopent-2-en-1-yl)imidazole
CID 140148944
2,12-Bis(1-methylimidazol-2-yl)-21,23-diazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),2,4,6,8(23),9,11,13,15,17,19-undecaene
CID 140592586

Frequently Asked Questions

What is the IUPAC name of 5',7'-di(imidazol-1-yl)spiro[cyclohexane-1,2'-imidazo[4,5-b]pyridine]?
The IUPAC name of 5',7'-di(imidazol-1-yl)spiro[cyclohexane-1,2'-imidazo[4,5-b]pyridine] (CID 5325313) is 5',7'-di(imidazol-1-yl)spiro[cyclohexane-1,2'-imidazo[4,5-b]pyridine].
What is the SMILES notation for 5',7'-di(imidazol-1-yl)spiro[cyclohexane-1,2'-imidazo[4,5-b]pyridine]?
The canonical SMILES for 5',7'-di(imidazol-1-yl)spiro[cyclohexane-1,2'-imidazo[4,5-b]pyridine] is c1cn(-c2cc(-n3ccnc3)c3c(n2)=NC2(CCCCC2)N=3)cn1.
What is the InChIKey of 5',7'-di(imidazol-1-yl)spiro[cyclohexane-1,2'-imidazo[4,5-b]pyridine]?
The InChIKey is GBNAEESLNIYMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7/c1-2-4-17(5-3-1)21-15-13(23-8-6-18-11-23)10-14(20-16(15)22-17)24-9-7-19-12-24/h6-12H,1-5H2.
What are the key properties of 5',7'-di(imidazol-1-yl)spiro[cyclohexane-1,2'-imidazo[4,5-b]pyridine]?
5',7'-di(imidazol-1-yl)spiro[cyclohexane-1,2'-imidazo[4,5-b]pyridine] has a molecular weight of 319.37 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5',7'-di(imidazol-1-yl)spiro[cyclohexane-1,2'-imidazo[4,5-b]pyridine] is sourced from PubChem (CID 5325313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).