(4R,6R)-4-methoxy-8-[(2-methyl-3-pyridinyl)methyl]-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene

C19H24N4O — CID 155952998

IUPAC(4R,6R)-4-methoxy-8-[(2-methyl-3-pyridinyl)methyl]-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene
SMILESCO[C@@H]1C[C@@H]2CN(Cc3cccnc3C)Cc3cccnc3N2C1
InChIInChI=1S/C19H24N4O/c1-14-15(5-3-7-20-14)10-22-11-16-6-4-8-21-19(16)23-13-18(24-2)9-17(23)12-22/h3-8,17-18H,9-13H2,1-2H3/t17-,18-/m1/s1
InChIKeyWDKMVSLFPUBDJG-QZTJIDSGSA-N
MW324.43 g/mol
LogP2.39
Rot. Bonds3

About (4R,6R)-4-methoxy-8-[(2-methyl-3-pyridinyl)methyl]-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene

(4R,6R)-4-methoxy-8-[(2-methyl-3-pyridinyl)methyl]-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene (PubChem CID 155952998) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is (4R,6R)-4-methoxy-8-[(2-methyl-3-pyridinyl)methyl]-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene.

Molecular Properties

Compound Name(4R,6R)-4-methoxy-8-[(2-methyl-3-pyridinyl)methyl]-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene
PubChem CID155952998
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name(4R,6R)-4-methoxy-8-[(2-methyl-3-pyridinyl)methyl]-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene
SMILESCO[C@@H]1C[C@@H]2CN(Cc3cccnc3C)Cc3cccnc3N2C1
InChIInChI=1S/C19H24N4O/c1-14-15(5-3-7-20-14)10-22-11-16-6-4-8-21-19(16)23-13-18(24-2)9-17(23)12-22/h3-8,17-18H,9-13H2,1-2H3/t17-,18-/m1/s1
InChIKeyWDKMVSLFPUBDJG-QZTJIDSGSA-N
XLogP2.39
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4R,6R)-4-methoxy-8-[(2-methyl-3-pyridinyl)methyl]-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene with MolForge

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Related Compounds

1-methyl-4-[(2-methyl-3-pyridinyl)methyl]piperazine
CID 71302088
1-[(2-bromophenyl)methyl]-4-[(2-methyl-3-pyridinyl)methyl]piperazine
CID 166601534
2-methyl-3-(pyrrolidin-1-ylmethyl)pyridine
CID 130158747
4-methoxy-10-methyl-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene
CID 146477744
3-methyl-8-[5-[(2-methyl-3-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 175650622
3-[[3-(2-chlorophenoxy)pyrrolidin-1-yl]methyl]-2-methylpyridine
CID 126774849
N-[(3aS,5R,6R,7aR)-6-methoxy-2-[(2-methyl-3-pyridinyl)methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-yl]acetamide
CID 172660723
N-[[3-(4-bromophenyl)-1H-1,2,4-triazol-5-yl]methyl]-4-methoxy-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide
CID 155967891
N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-1-(2-methyl-3-pyridinyl)methanamine
CID 124528166
2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 128978159
3-[(3-methoxypyrrolidin-1-yl)methyl]pyridine-2-carbothioamide
CID 103533736
[(2S)-5-[(2-chlorophenyl)methyl]-1-methyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol
CID 75529222

Frequently Asked Questions

What is the IUPAC name of (4R,6R)-4-methoxy-8-[(2-methyl-3-pyridinyl)methyl]-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene?
The IUPAC name of (4R,6R)-4-methoxy-8-[(2-methyl-3-pyridinyl)methyl]-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene (CID 155952998) is (4R,6R)-4-methoxy-8-[(2-methyl-3-pyridinyl)methyl]-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene.
What is the SMILES notation for (4R,6R)-4-methoxy-8-[(2-methyl-3-pyridinyl)methyl]-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene?
The canonical SMILES for (4R,6R)-4-methoxy-8-[(2-methyl-3-pyridinyl)methyl]-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene is CO[C@@H]1C[C@@H]2CN(Cc3cccnc3C)Cc3cccnc3N2C1.
What is the InChIKey of (4R,6R)-4-methoxy-8-[(2-methyl-3-pyridinyl)methyl]-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene?
The InChIKey is WDKMVSLFPUBDJG-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H24N4O/c1-14-15(5-3-7-20-14)10-22-11-16-6-4-8-21-19(16)23-13-18(24-2)9-17(23)12-22/h3-8,17-18H,9-13H2,1-2H3/t17-,18-/m1/s1.
What are the key properties of (4R,6R)-4-methoxy-8-[(2-methyl-3-pyridinyl)methyl]-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene?
(4R,6R)-4-methoxy-8-[(2-methyl-3-pyridinyl)methyl]-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene has a molecular weight of 324.43 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R)-4-methoxy-8-[(2-methyl-3-pyridinyl)methyl]-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene is sourced from PubChem (CID 155952998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).