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

C27H26N4O2 — CID 122622287

IUPAC7-[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
SMILESc1ccc(C2C3CC(C3)c3nc4ccc(-c5ccnc(OC6CCOCC6)c5)nc4n32)cc1
InChIInChI=1S/C27H26N4O2/c1-2-4-17(5-3-1)25-19-14-20(15-19)26-30-23-7-6-22(29-27(23)31(25)26)18-8-11-28-24(16-18)33-21-9-12-32-13-10-21/h1-8,11,16,19-21,25H,9-10,12-15H2
InChIKeyICOGTHDPACOZSF-UHFFFAOYSA-N
MW438.53 g/mol
LogP5.15
Rot. Bonds4

About 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

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 (PubChem CID 122622287) has the molecular formula C27H26N4O2 and a molecular weight of 438.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-[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
PubChem CID122622287
Molecular FormulaC27H26N4O2
Molecular Weight438.53 g/mol
Exact Mass438.21
IUPAC Name7-[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
SMILESc1ccc(C2C3CC(C3)c3nc4ccc(-c5ccnc(OC6CCOCC6)c5)nc4n32)cc1
InChIInChI=1S/C27H26N4O2/c1-2-4-17(5-3-1)25-19-14-20(15-19)26-30-23-7-6-22(29-27(23)31(25)26)18-8-11-28-24(16-18)33-21-9-12-32-13-10-21/h1-8,11,16,19-21,25H,9-10,12-15H2
InChIKeyICOGTHDPACOZSF-UHFFFAOYSA-N
XLogP5.15
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.53
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

(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-[(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
2-[5-(11-phenyl-3,8,10-triazatetracyclo[10.1.1.02,10.04,9]tetradeca-2,4(9),5,7-tetraen-7-yl)pyrimidin-2-yl]propan-2-ol
CID 122621989
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
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
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
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
[(2S,3R)-3-methyl-2-phenylazetidin-1-yl]-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methanone
CID 99854488
2-[[2-(oxan-4-yloxy)-4-pyridinyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977266
(E)-N-[[2-(oxan-4-yloxy)-4-pyridinyl]methyl]-3-phenylprop-2-enamide
CID 75407392
3-[[[2-(oxan-4-yloxy)-4-pyridinyl]methylamino]methyl]benzoic acid
CID 122031287
3-(2-methylphenyl)-N-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]cyclobutan-1-amine
CID 99621949

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(C2C3CC(C3)c3nc4ccc(-c5ccnc(OC6CCOCC6)c5)nc4n32)cc1.
What is the InChIKey of 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?
The InChIKey is ICOGTHDPACOZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O2/c1-2-4-17(5-3-1)25-19-14-20(15-19)26-30-23-7-6-22(29-27(23)31(25)26)18-8-11-28-24(16-18)33-21-9-12-32-13-10-21/h1-8,11,16,19-21,25H,9-10,12-15H2.
What are the key properties of 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?
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 has a molecular weight of 438.53 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 122622287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).