1-pyridin-4-yl-2-(6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanol

C20H22N4O — CID 58459887

IUPAC1-pyridin-4-yl-2-(6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanol
SMILESOC(Cn1c2c(c3cccnc31)C1CCCN1CC2)c1ccncc1
InChIInChI=1S/C20H22N4O/c25-18(14-5-9-21-10-6-14)13-24-17-7-12-23-11-2-4-16(23)19(17)15-3-1-8-22-20(15)24/h1,3,5-6,8-10,16,18,25H,2,4,7,11-13H2
InChIKeyNGQKWHKFIUQVSQ-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.86
Rot. Bonds3

About 1-pyridin-4-yl-2-(6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanol

1-pyridin-4-yl-2-(6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanol (PubChem CID 58459887) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-pyridin-4-yl-2-(6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanol.

Molecular Properties

Compound Name1-pyridin-4-yl-2-(6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanol
PubChem CID58459887
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name1-pyridin-4-yl-2-(6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanol
SMILESOC(Cn1c2c(c3cccnc31)C1CCCN1CC2)c1ccncc1
InChIInChI=1S/C20H22N4O/c25-18(14-5-9-21-10-6-14)13-24-17-7-12-23-11-2-4-16(23)19(17)15-3-1-8-22-20(15)24/h1,3,5-6,8-10,16,18,25H,2,4,7,11-13H2
InChIKeyNGQKWHKFIUQVSQ-UHFFFAOYSA-N
XLogP2.86
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-pyridin-4-yl-2-(6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanol with MolForge

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Related Compounds

(1S)-2-(8-chloro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol
CID 118481782
2-(8-bromo-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol
CID 73331394
(1S)-2-[(11cR)-9-bromo-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl]-1-pyridin-4-ylethanol
CID 118481729
ethyl 7-(2-hydroxy-2-pyridin-4-ylethyl)-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole-10-carboxylate
CID 118481762
1-(1H-imidazol-2-yl)-2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanol
CID 118011588
14-methyl-10-(2-pyridin-3-ylethyl)-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene
CID 71007600
2-(15-methyl-7,11,14,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12,14,16-tetraen-11-yl)-1-phenylethanol
CID 71008424
4-[1-hydroxy-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethyl]pyridine-3-carboxylic acid;2-(11-methyl-2,3,4,6,7,12c-hexahydro-1H-indolo[3,2-a]quinolizin-8-yl)-1-pyridin-4-ylethanol;1-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol;4,6,6-trimethyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene
CID 160796263
2-(6-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol
CID 118489670
14-chloro-10-(2-phenylethyl)-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene
CID 71007860
2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-(2H-triazol-4-yl)ethanol
CID 71007540
2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-(3-tritylimidazol-4-yl)ethanol
CID 71268624

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-yl-2-(6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanol?
The IUPAC name of 1-pyridin-4-yl-2-(6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanol (CID 58459887) is 1-pyridin-4-yl-2-(6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanol.
What is the SMILES notation for 1-pyridin-4-yl-2-(6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanol?
The canonical SMILES for 1-pyridin-4-yl-2-(6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanol is OC(Cn1c2c(c3cccnc31)C1CCCN1CC2)c1ccncc1.
What is the InChIKey of 1-pyridin-4-yl-2-(6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanol?
The InChIKey is NGQKWHKFIUQVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c25-18(14-5-9-21-10-6-14)13-24-17-7-12-23-11-2-4-16(23)19(17)15-3-1-8-22-20(15)24/h1,3,5-6,8-10,16,18,25H,2,4,7,11-13H2.
What are the key properties of 1-pyridin-4-yl-2-(6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanol?
1-pyridin-4-yl-2-(6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanol has a molecular weight of 334.42 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-4-yl-2-(6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanol is sourced from PubChem (CID 58459887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).