3-(5-spiro[3.5]nonan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl)phenol

C21H27N3O — CID 165418197

IUPAC3-(5-spiro[3.5]nonan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl)phenol
SMILESOc1cccc(C2CN(C3CC4(CCCCC4)C3)Cc3[nH]cnc32)c1
InChIInChI=1S/C21H27N3O/c25-17-6-4-5-15(9-17)18-12-24(13-19-20(18)23-14-22-19)16-10-21(11-16)7-2-1-3-8-21/h4-6,9,14,16,18,25H,1-3,7-8,10-13H2,(H,22,23)
InChIKeyZLRKPPSMCVSPPW-UHFFFAOYSA-N
MW337.47 g/mol
LogP4.18
Rot. Bonds2

About 3-(5-spiro[3.5]nonan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl)phenol

3-(5-spiro[3.5]nonan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl)phenol (PubChem CID 165418197) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 3-(5-spiro[3.5]nonan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl)phenol.

Molecular Properties

Compound Name3-(5-spiro[3.5]nonan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl)phenol
PubChem CID165418197
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name3-(5-spiro[3.5]nonan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl)phenol
SMILESOc1cccc(C2CN(C3CC4(CCCCC4)C3)Cc3[nH]cnc32)c1
InChIInChI=1S/C21H27N3O/c25-17-6-4-5-15(9-17)18-12-24(13-19-20(18)23-14-22-19)16-10-21(11-16)7-2-1-3-8-21/h4-6,9,14,16,18,25H,1-3,7-8,10-13H2,(H,22,23)
InChIKeyZLRKPPSMCVSPPW-UHFFFAOYSA-N
XLogP4.18
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-spiro[3.5]nonan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl)phenol?
The IUPAC name of 3-(5-spiro[3.5]nonan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl)phenol (CID 165418197) is 3-(5-spiro[3.5]nonan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl)phenol.
What is the SMILES notation for 3-(5-spiro[3.5]nonan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl)phenol?
The canonical SMILES for 3-(5-spiro[3.5]nonan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl)phenol is Oc1cccc(C2CN(C3CC4(CCCCC4)C3)Cc3[nH]cnc32)c1.
What is the InChIKey of 3-(5-spiro[3.5]nonan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl)phenol?
The InChIKey is ZLRKPPSMCVSPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c25-17-6-4-5-15(9-17)18-12-24(13-19-20(18)23-14-22-19)16-10-21(11-16)7-2-1-3-8-21/h4-6,9,14,16,18,25H,1-3,7-8,10-13H2,(H,22,23).
What are the key properties of 3-(5-spiro[3.5]nonan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl)phenol?
3-(5-spiro[3.5]nonan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl)phenol has a molecular weight of 337.47 g/mol, XLogP of 4.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-spiro[3.5]nonan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl)phenol is sourced from PubChem (CID 165418197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).