8-(4-pyridin-4-yl-3-pyridinyl)-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ol

C21H14N4O — CID 640032

IUPAC8-(4-pyridin-4-yl-3-pyridinyl)-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ol
SMILESOC1(c2cnccc2-c2ccncc2)c2cnccc2-c2ccncc21
InChIInChI=1S/C21H14N4O/c26-21(18-11-23-8-3-15(18)14-1-6-22-7-2-14)19-12-24-9-4-16(19)17-5-10-25-13-20(17)21/h1-13,26H
InChIKeyKRUZHROGSHNWOI-UHFFFAOYSA-N
MW338.37 g/mol
LogP3.20
Rot. Bonds2

About 8-(4-pyridin-4-yl-3-pyridinyl)-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ol

8-(4-pyridin-4-yl-3-pyridinyl)-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ol (PubChem CID 640032) has the molecular formula C21H14N4O and a molecular weight of 338.37 g/mol. Its IUPAC name is 8-(4-pyridin-4-yl-3-pyridinyl)-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ol.

Molecular Properties

Compound Name8-(4-pyridin-4-yl-3-pyridinyl)-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ol
PubChem CID640032
Molecular FormulaC21H14N4O
Molecular Weight338.37 g/mol
Exact Mass338.12
IUPAC Name8-(4-pyridin-4-yl-3-pyridinyl)-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ol
SMILESOC1(c2cnccc2-c2ccncc2)c2cnccc2-c2ccncc21
InChIInChI=1S/C21H14N4O/c26-21(18-11-23-8-3-15(18)14-1-6-22-7-2-14)19-12-24-9-4-16(19)17-5-10-25-13-20(17)21/h1-13,26H
InChIKeyKRUZHROGSHNWOI-UHFFFAOYSA-N
XLogP3.20
TPSA71.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-(4-pyridin-4-yl-3-pyridinyl)-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ol with MolForge

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Related Compounds

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CID 46885546
2-Phenyl-2-(piperidin-1-yl)-1,1-di(pyridin-3-yl)ethanol
CID 11595633
Pyrinoline
CID 3052765
2-Phenyl-1,3-di(4-pyridyl)-2-propanol
CID 192779
9-(3-Pyridinyl)-9H-fluoren-9-ol
CID 22768091
1,2,4,5-Tetrapyridin-4-ylcyclohexan-1-ol
CID 89905202
5-Phenyl-5H-cyclopenta[2,1-b:3,4-b']dipyridin-5-ol
CID 101866341
8-[(2-Fluoro-4-pyridinyl)methyl]-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ol
CID 21465315
2-(4-Fluorophenyl)-1,1-dipyridin-3-ylethanol
CID 57425700
Tri(pyridin-4-yl)methanol
CID 15861888
(5R,7S)-7-ethyl-5-methyl-5-phenyl-6H-cyclopenta[c]pyridin-7-ol
CID 101487843
(5S,7S)-7-ethyl-5-methyl-5-phenyl-6H-cyclopenta[c]pyridin-7-ol
CID 135040401

Frequently Asked Questions

What is the IUPAC name of 8-(4-pyridin-4-yl-3-pyridinyl)-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ol?
The IUPAC name of 8-(4-pyridin-4-yl-3-pyridinyl)-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ol (CID 640032) is 8-(4-pyridin-4-yl-3-pyridinyl)-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ol.
What is the SMILES notation for 8-(4-pyridin-4-yl-3-pyridinyl)-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ol?
The canonical SMILES for 8-(4-pyridin-4-yl-3-pyridinyl)-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ol is OC1(c2cnccc2-c2ccncc2)c2cnccc2-c2ccncc21.
What is the InChIKey of 8-(4-pyridin-4-yl-3-pyridinyl)-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ol?
The InChIKey is KRUZHROGSHNWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4O/c26-21(18-11-23-8-3-15(18)14-1-6-22-7-2-14)19-12-24-9-4-16(19)17-5-10-25-13-20(17)21/h1-13,26H.
What are the key properties of 8-(4-pyridin-4-yl-3-pyridinyl)-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ol?
8-(4-pyridin-4-yl-3-pyridinyl)-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ol has a molecular weight of 338.37 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-pyridin-4-yl-3-pyridinyl)-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ol is sourced from PubChem (CID 640032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).