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

C19H24N6 — CID 5325315

IUPAC5'-imidazol-1-yl-7'-piperidin-1-ylspiro[cyclohexane-1,2'-imidazo[4,5-b]pyridine]
SMILESc1cn(-c2cc(N3CCCCC3)c3c(n2)=NC2(CCCCC2)N=3)cn1
InChIInChI=1S/C19H24N6/c1-3-7-19(8-4-1)22-17-15(24-10-5-2-6-11-24)13-16(21-18(17)23-19)25-12-9-20-14-25/h9,12-14H,1-8,10-11H2
InChIKeyZOOFLJLFNCVIBH-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.17
Rot. Bonds2

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

5'-imidazol-1-yl-7'-piperidin-1-ylspiro[cyclohexane-1,2'-imidazo[4,5-b]pyridine] (PubChem CID 5325315) has the molecular formula C19H24N6 and a molecular weight of 336.44 g/mol. Its IUPAC name is 5'-imidazol-1-yl-7'-piperidin-1-ylspiro[cyclohexane-1,2'-imidazo[4,5-b]pyridine].

Molecular Properties

Compound Name5'-imidazol-1-yl-7'-piperidin-1-ylspiro[cyclohexane-1,2'-imidazo[4,5-b]pyridine]
PubChem CID5325315
Molecular FormulaC19H24N6
Molecular Weight336.44 g/mol
Exact Mass336.21
IUPAC Name5'-imidazol-1-yl-7'-piperidin-1-ylspiro[cyclohexane-1,2'-imidazo[4,5-b]pyridine]
SMILESc1cn(-c2cc(N3CCCCC3)c3c(n2)=NC2(CCCCC2)N=3)cn1
InChIInChI=1S/C19H24N6/c1-3-7-19(8-4-1)22-17-15(24-10-5-2-6-11-24)13-16(21-18(17)23-19)25-12-9-20-14-25/h9,12-14H,1-8,10-11H2
InChIKeyZOOFLJLFNCVIBH-UHFFFAOYSA-N
XLogP2.17
TPSA58.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5'-imidazol-1-yl-7'-piperidin-1-ylspiro[cyclohexane-1,2'-imidazo[4,5-b]pyridine]?
The IUPAC name of 5'-imidazol-1-yl-7'-piperidin-1-ylspiro[cyclohexane-1,2'-imidazo[4,5-b]pyridine] (CID 5325315) is 5'-imidazol-1-yl-7'-piperidin-1-ylspiro[cyclohexane-1,2'-imidazo[4,5-b]pyridine].
What is the SMILES notation for 5'-imidazol-1-yl-7'-piperidin-1-ylspiro[cyclohexane-1,2'-imidazo[4,5-b]pyridine]?
The canonical SMILES for 5'-imidazol-1-yl-7'-piperidin-1-ylspiro[cyclohexane-1,2'-imidazo[4,5-b]pyridine] is c1cn(-c2cc(N3CCCCC3)c3c(n2)=NC2(CCCCC2)N=3)cn1.
What is the InChIKey of 5'-imidazol-1-yl-7'-piperidin-1-ylspiro[cyclohexane-1,2'-imidazo[4,5-b]pyridine]?
The InChIKey is ZOOFLJLFNCVIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6/c1-3-7-19(8-4-1)22-17-15(24-10-5-2-6-11-24)13-16(21-18(17)23-19)25-12-9-20-14-25/h9,12-14H,1-8,10-11H2.
What are the key properties of 5'-imidazol-1-yl-7'-piperidin-1-ylspiro[cyclohexane-1,2'-imidazo[4,5-b]pyridine]?
5'-imidazol-1-yl-7'-piperidin-1-ylspiro[cyclohexane-1,2'-imidazo[4,5-b]pyridine] has a molecular weight of 336.44 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-imidazol-1-yl-7'-piperidin-1-ylspiro[cyclohexane-1,2'-imidazo[4,5-b]pyridine] is sourced from PubChem (CID 5325315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).