9-[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]xanthen-4-ol

C26H24N2O2 — CID 15986447

IUPAC9-[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]xanthen-4-ol
SMILESOc1cccc2c1Oc1ccccc1C2=C1CC2CCC(C1)N2Cc1ccccn1
InChIInChI=1S/C26H24N2O2/c29-23-9-5-8-22-25(21-7-1-2-10-24(21)30-26(22)23)17-14-19-11-12-20(15-17)28(19)16-18-6-3-4-13-27-18/h1-10,13,19-20,29H,11-12,14-16H2
InChIKeyJCCCMWIJDWTLJA-UHFFFAOYSA-N
MW396.49 g/mol
LogP5.52
Rot. Bonds2

About 9-[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]xanthen-4-ol

9-[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]xanthen-4-ol (PubChem CID 15986447) has the molecular formula C26H24N2O2 and a molecular weight of 396.49 g/mol. Its IUPAC name is 9-[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]xanthen-4-ol.

Molecular Properties

Compound Name9-[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]xanthen-4-ol
PubChem CID15986447
Molecular FormulaC26H24N2O2
Molecular Weight396.49 g/mol
Exact Mass396.18
IUPAC Name9-[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]xanthen-4-ol
SMILESOc1cccc2c1Oc1ccccc1C2=C1CC2CCC(C1)N2Cc1ccccn1
InChIInChI=1S/C26H24N2O2/c29-23-9-5-8-22-25(21-7-1-2-10-24(21)30-26(22)23)17-14-19-11-12-20(15-17)28(19)16-18-6-3-4-13-27-18/h1-10,13,19-20,29H,11-12,14-16H2
InChIKeyJCCCMWIJDWTLJA-UHFFFAOYSA-N
XLogP5.52
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 9-[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]xanthen-4-ol 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

9-[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]xanthene-4-carbothioamide;9-[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]xanthene-4-carboxamide
CID 159842854
[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]methanamine
CID 82242881
2-[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79015062
3-propan-2-yl-8-(pyridin-2-ylmethyl)-3,8-diazabicyclo[3.2.1]octane
CID 67986727
3-pyridin-4-yl-10-[(1S,5R)-8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]phenoxazine
CID 59814684
N-propyl-8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62740133
N,N-diethyl-10-[(1R,5S)-8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]phenoxazine-3-carboximidamide
CID 59814714
N-ethyl-9-(pyridin-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 55105886
3-propyl-6-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.1.1]heptane
CID 138608098
9-(4,5-dihydroxyxanthen-9-ylidene)xanthene-4,5-diol
CID 132552558
1-(pyridin-2-ylmethyl)pyrrolidine-3,4-diol
CID 106672943
5-cyclopropyl-2-(pyridin-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 121185554

Frequently Asked Questions

What is the IUPAC name of 9-[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]xanthen-4-ol?
The IUPAC name of 9-[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]xanthen-4-ol (CID 15986447) is 9-[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]xanthen-4-ol.
What is the SMILES notation for 9-[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]xanthen-4-ol?
The canonical SMILES for 9-[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]xanthen-4-ol is Oc1cccc2c1Oc1ccccc1C2=C1CC2CCC(C1)N2Cc1ccccn1.
What is the InChIKey of 9-[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]xanthen-4-ol?
The InChIKey is JCCCMWIJDWTLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O2/c29-23-9-5-8-22-25(21-7-1-2-10-24(21)30-26(22)23)17-14-19-11-12-20(15-17)28(19)16-18-6-3-4-13-27-18/h1-10,13,19-20,29H,11-12,14-16H2.
What are the key properties of 9-[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]xanthen-4-ol?
9-[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]xanthen-4-ol has a molecular weight of 396.49 g/mol, XLogP of 5.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]xanthen-4-ol is sourced from PubChem (CID 15986447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).