4'-(4-spiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine]-4'-ylpiperazin-1-yl)spiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine]

C26H32N8 — CID 10742464

IUPAC4'-(4-spiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine]-4'-ylpiperazin-1-yl)spiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine]
SMILESc1cc2c(c(N3CCN(c4nccc5c4=NC4(CCCCC4)N=5)CC3)n1)=NC1(CCCCC1)N=2
InChIInChI=1S/C26H32N8/c1-3-9-25(10-4-1)29-19-7-13-27-23(21(19)31-25)33-15-17-34(18-16-33)24-22-20(8-14-28-24)30-26(32-22)11-5-2-6-12-26/h7-8,13-14H,1-6,9-12,15-18H2
InChIKeyKPDSDWBLQIUXSN-UHFFFAOYSA-N
MW456.60 g/mol
LogP1.63
Rot. Bonds2

About 4'-(4-spiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine]-4'-ylpiperazin-1-yl)spiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine]

4'-(4-spiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine]-4'-ylpiperazin-1-yl)spiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine] (PubChem CID 10742464) has the molecular formula C26H32N8 and a molecular weight of 456.60 g/mol. Its IUPAC name is 4'-(4-spiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine]-4'-ylpiperazin-1-yl)spiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine].

Molecular Properties

Compound Name4'-(4-spiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine]-4'-ylpiperazin-1-yl)spiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine]
PubChem CID10742464
Molecular FormulaC26H32N8
Molecular Weight456.60 g/mol
Exact Mass456.27
IUPAC Name4'-(4-spiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine]-4'-ylpiperazin-1-yl)spiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine]
SMILESc1cc2c(c(N3CCN(c4nccc5c4=NC4(CCCCC4)N=5)CC3)n1)=NC1(CCCCC1)N=2
InChIInChI=1S/C26H32N8/c1-3-9-25(10-4-1)29-19-7-13-27-23(21(19)31-25)33-15-17-34(18-16-33)24-22-20(8-14-28-24)30-26(32-22)11-5-2-6-12-26/h7-8,13-14H,1-6,9-12,15-18H2
InChIKeyKPDSDWBLQIUXSN-UHFFFAOYSA-N
XLogP1.63
TPSA81.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.60
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4'-(4-spiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine]-4'-ylpiperazin-1-yl)spiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4'-(4-spiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine]-4'-ylpiperazin-1-yl)spiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine]?
The IUPAC name of 4'-(4-spiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine]-4'-ylpiperazin-1-yl)spiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine] (CID 10742464) is 4'-(4-spiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine]-4'-ylpiperazin-1-yl)spiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine].
What is the SMILES notation for 4'-(4-spiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine]-4'-ylpiperazin-1-yl)spiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine]?
The canonical SMILES for 4'-(4-spiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine]-4'-ylpiperazin-1-yl)spiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine] is c1cc2c(c(N3CCN(c4nccc5c4=NC4(CCCCC4)N=5)CC3)n1)=NC1(CCCCC1)N=2.
What is the InChIKey of 4'-(4-spiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine]-4'-ylpiperazin-1-yl)spiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine]?
The InChIKey is KPDSDWBLQIUXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N8/c1-3-9-25(10-4-1)29-19-7-13-27-23(21(19)31-25)33-15-17-34(18-16-33)24-22-20(8-14-28-24)30-26(32-22)11-5-2-6-12-26/h7-8,13-14H,1-6,9-12,15-18H2.
What are the key properties of 4'-(4-spiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine]-4'-ylpiperazin-1-yl)spiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine]?
4'-(4-spiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine]-4'-ylpiperazin-1-yl)spiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine] has a molecular weight of 456.60 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-(4-spiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine]-4'-ylpiperazin-1-yl)spiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine] is sourced from PubChem (CID 10742464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).