spiro[cyclohexane-1,2'-imidazo[4,5-b]pyridine]

C11H13N3 — CID 15144947

IUPACspiro[cyclohexane-1,2'-imidazo[4,5-b]pyridine]
SMILESc1cnc2c(c1)=NC1(CCCCC1)N=2
InChIInChI=1S/C11H13N3/c1-2-6-11(7-3-1)13-9-5-4-8-12-10(9)14-11/h4-5,8H,1-3,6-7H2
InChIKeyIRFLWUABEAVYHH-UHFFFAOYSA-N
MW187.25 g/mol
LogP0.99
Rot. Bonds

About spiro[cyclohexane-1,2'-imidazo[4,5-b]pyridine]

spiro[cyclohexane-1,2'-imidazo[4,5-b]pyridine] (PubChem CID 15144947) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is spiro[cyclohexane-1,2'-imidazo[4,5-b]pyridine].

Molecular Properties

Compound Namespiro[cyclohexane-1,2'-imidazo[4,5-b]pyridine]
PubChem CID15144947
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Namespiro[cyclohexane-1,2'-imidazo[4,5-b]pyridine]
SMILESc1cnc2c(c1)=NC1(CCCCC1)N=2
InChIInChI=1S/C11H13N3/c1-2-6-11(7-3-1)13-9-5-4-8-12-10(9)14-11/h4-5,8H,1-3,6-7H2
InChIKeyIRFLWUABEAVYHH-UHFFFAOYSA-N
XLogP0.99
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of spiro[cyclohexane-1,2'-imidazo[4,5-b]pyridine]?
The IUPAC name of spiro[cyclohexane-1,2'-imidazo[4,5-b]pyridine] (CID 15144947) is spiro[cyclohexane-1,2'-imidazo[4,5-b]pyridine].
What is the SMILES notation for spiro[cyclohexane-1,2'-imidazo[4,5-b]pyridine]?
The canonical SMILES for spiro[cyclohexane-1,2'-imidazo[4,5-b]pyridine] is c1cnc2c(c1)=NC1(CCCCC1)N=2.
What is the InChIKey of spiro[cyclohexane-1,2'-imidazo[4,5-b]pyridine]?
The InChIKey is IRFLWUABEAVYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-2-6-11(7-3-1)13-9-5-4-8-12-10(9)14-11/h4-5,8H,1-3,6-7H2.
What are the key properties of spiro[cyclohexane-1,2'-imidazo[4,5-b]pyridine]?
spiro[cyclohexane-1,2'-imidazo[4,5-b]pyridine] has a molecular weight of 187.25 g/mol, XLogP of 0.99, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[cyclohexane-1,2'-imidazo[4,5-b]pyridine] is sourced from PubChem (CID 15144947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).