4-[[4-[(3S)-3-methyl-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-11-yl]-2-pyridinyl]oxy]cyclohexan-1-ol

C21H24N4O2 — CID 152915404

IUPAC4-[[4-[(3S)-3-methyl-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-11-yl]-2-pyridinyl]oxy]cyclohexan-1-ol
SMILESC[C@H]1CCc2nc3ccc(-c4ccnc(OC5CCC(O)CC5)c4)nc3n21
InChIInChI=1S/C21H24N4O2/c1-13-2-9-19-23-18-8-7-17(24-21(18)25(13)19)14-10-11-22-20(12-14)27-16-5-3-15(26)4-6-16/h7-8,10-13,15-16,26H,2-6,9H2,1H3/t13-,15?,16?/m0/s1
InChIKeyUIAMALMYGMTBME-JEYLPNPQSA-N
MW364.45 g/mol
LogP3.68
Rot. Bonds3

About 4-[[4-[(3S)-3-methyl-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-11-yl]-2-pyridinyl]oxy]cyclohexan-1-ol

4-[[4-[(3S)-3-methyl-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-11-yl]-2-pyridinyl]oxy]cyclohexan-1-ol (PubChem CID 152915404) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-[[4-[(3S)-3-methyl-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-11-yl]-2-pyridinyl]oxy]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[4-[(3S)-3-methyl-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-11-yl]-2-pyridinyl]oxy]cyclohexan-1-ol
PubChem CID152915404
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name4-[[4-[(3S)-3-methyl-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-11-yl]-2-pyridinyl]oxy]cyclohexan-1-ol
SMILESC[C@H]1CCc2nc3ccc(-c4ccnc(OC5CCC(O)CC5)c4)nc3n21
InChIInChI=1S/C21H24N4O2/c1-13-2-9-19-23-18-8-7-17(24-21(18)25(13)19)14-10-11-22-20(12-14)27-16-5-3-15(26)4-6-16/h7-8,10-13,15-16,26H,2-6,9H2,1H3/t13-,15?,16?/m0/s1
InChIKeyUIAMALMYGMTBME-JEYLPNPQSA-N
XLogP3.68
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[[4-[(3S)-3-methyl-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-11-yl]-2-pyridinyl]oxy]cyclohexan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

4-[[4-[(3R)-3-phenyl-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-11-yl]-2-pyridinyl]oxy]cyclohexan-1-ol
CID 122622061
(3R)-11-[2-(oxan-4-yloxy)-4-pyridinyl]-3-phenyl-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraene
CID 122622144
4-[(4-spiro[11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-13,3'-2H-1-benzofuran]-4-yl-2-pyridinyl)oxy]cyclohexan-1-ol
CID 122622214
7-[2-(oxan-4-yloxy)-4-pyridinyl]-11-phenyl-3,8,10-triazatetracyclo[10.1.1.02,10.04,9]tetradeca-2,4(9),5,7-tetraene
CID 122622287
4-[(3S)-3-methyl-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-11-yl]-1-(oxan-4-yl)pyridin-2-one
CID 146896036
(8aS)-7-[5-[(3S)-3-methyl-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-11-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 135173387
4-[2-(oxan-4-yloxy)-4-pyridinyl]spiro[1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-13,3'-2H-1-benzofuran]
CID 135164435
tris[1-[5-(3-phenyl-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-11-yl)pyrimidin-2-yl]piperidin-4-yl] phosphate
CID 122621889
CID 156741568
CID 156741568
4-pyrazin-2-yloxycyclohexan-1-ol
CID 117051403
4-[5-(3-phenyl-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-11-yl)pyrimidin-2-yl]morpholine
CID 122621739
2-cyclopentyloxy-4-methylpyridine
CID 18779821

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(3S)-3-methyl-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-11-yl]-2-pyridinyl]oxy]cyclohexan-1-ol?
The IUPAC name of 4-[[4-[(3S)-3-methyl-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-11-yl]-2-pyridinyl]oxy]cyclohexan-1-ol (CID 152915404) is 4-[[4-[(3S)-3-methyl-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-11-yl]-2-pyridinyl]oxy]cyclohexan-1-ol.
What is the SMILES notation for 4-[[4-[(3S)-3-methyl-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-11-yl]-2-pyridinyl]oxy]cyclohexan-1-ol?
The canonical SMILES for 4-[[4-[(3S)-3-methyl-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-11-yl]-2-pyridinyl]oxy]cyclohexan-1-ol is C[C@H]1CCc2nc3ccc(-c4ccnc(OC5CCC(O)CC5)c4)nc3n21.
What is the InChIKey of 4-[[4-[(3S)-3-methyl-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-11-yl]-2-pyridinyl]oxy]cyclohexan-1-ol?
The InChIKey is UIAMALMYGMTBME-JEYLPNPQSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-13-2-9-19-23-18-8-7-17(24-21(18)25(13)19)14-10-11-22-20(12-14)27-16-5-3-15(26)4-6-16/h7-8,10-13,15-16,26H,2-6,9H2,1H3/t13-,15?,16?/m0/s1.
What are the key properties of 4-[[4-[(3S)-3-methyl-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-11-yl]-2-pyridinyl]oxy]cyclohexan-1-ol?
4-[[4-[(3S)-3-methyl-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-11-yl]-2-pyridinyl]oxy]cyclohexan-1-ol has a molecular weight of 364.45 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(3S)-3-methyl-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-11-yl]-2-pyridinyl]oxy]cyclohexan-1-ol is sourced from PubChem (CID 152915404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).