11-benzyl-6-pyridin-4-yl-12-oxa-2,5-diazatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraen-13-one

C23H19N3O2 — CID 159269623

IUPAC11-benzyl-6-pyridin-4-yl-12-oxa-2,5-diazatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraen-13-one
SMILESO=C1Cc2nc3c(cc2CC(Cc2ccccc2)O1)C(c1ccncc1)=NC3
InChIInChI=1S/C23H19N3O2/c27-22-13-20-17(11-18(28-22)10-15-4-2-1-3-5-15)12-19-21(26-20)14-25-23(19)16-6-8-24-9-7-16/h1-9,12,18H,10-11,13-14H2
InChIKeyDANSIQNBKANDCB-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.08
Rot. Bonds3

About 11-benzyl-6-pyridin-4-yl-12-oxa-2,5-diazatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraen-13-one

11-benzyl-6-pyridin-4-yl-12-oxa-2,5-diazatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraen-13-one (PubChem CID 159269623) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 11-benzyl-6-pyridin-4-yl-12-oxa-2,5-diazatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraen-13-one.

Molecular Properties

Compound Name11-benzyl-6-pyridin-4-yl-12-oxa-2,5-diazatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraen-13-one
PubChem CID159269623
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name11-benzyl-6-pyridin-4-yl-12-oxa-2,5-diazatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraen-13-one
SMILESO=C1Cc2nc3c(cc2CC(Cc2ccccc2)O1)C(c1ccncc1)=NC3
InChIInChI=1S/C23H19N3O2/c27-22-13-20-17(11-18(28-22)10-15-4-2-1-3-5-15)12-19-21(26-20)14-25-23(19)16-6-8-24-9-7-16/h1-9,12,18H,10-11,13-14H2
InChIKeyDANSIQNBKANDCB-UHFFFAOYSA-N
XLogP3.08
TPSA64.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 11-benzyl-6-pyridin-4-yl-12-oxa-2,5-diazatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraen-13-one with MolForge

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Related Compounds

8-benzyl-1-(2-propan-2-yl-4-pyridinyl)-3,5,8,9-tetrahydrooxepino[4,5-f]isoindol-6-one
CID 158986056
8-benzyl-1-(2-methyl-4-pyridinyl)-3,5,8,9-tetrahydrooxepino[4,5-f]isoindol-6-one
CID 158986052
4-benzyl-7-pyridin-4-yl-3,4,5,9-tetrahydropyrrolo[3,4-h][1,3]benzoxazepin-2-one
CID 159269622
8-benzyl-1-pyridin-4-yl-3,5,8,9-tetrahydrooxepino[4,5-f]isoindol-6-one;8-[(3-chloro-4-fluorophenyl)methyl]-1-pyridin-4-yl-3,5,8,9-tetrahydrooxepino[4,5-f]isoindol-6-one;8-[(3-chlorophenyl)methyl]-1-pyridin-4-yl-3,5,8,9-tetrahydrooxepino[4,5-f]isoindol-6-one;8-[(1S)-2-hydroxy-1-phenylethyl]-1-pyridin-4-yl-3,5,8,9-tetrahydrooxepino[4,5-f]isoindol-6-one;8-(naphthalen-2-ylmethyl)-1-pyridin-4-yl-3,5,8,9-tetrahydrooxepino[4,5-f]isoindol-6-one;1-pyridin-4-yl-8-(quinolin-2-ylmethyl)-3,5,8,9-tetrahydrooxepino[4,5-f]isoindol-6-one
CID 157224268
3-benzyl-3,4-dihydroisochromen-1-one
CID 10728624
(2S)-2-benzyl-2,3-dihydro-1-benzofuran-5-carbaldehyde
CID 129362542
2-benzyl-2,3-dihydrochromen-4-one
CID 14773508
benzyl-oxo-(7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indol-2-yl)phosphanium
CID 159538962
(7S)-7-benzyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 11529583
11-benzyl-10-oxa-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one
CID 139898997
(NZ)-N-[2-phenyl-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)ethylidene]hydroxylamine
CID 172957272
methane;3-nitro-5-pyridin-4-yl-7H-pyrrolo[3,4-b]pyridin-2-amine;5-pyridin-4-yl-7H-pyrrolo[3,4-b]pyridine-2,3-diamine
CID 159811248

Frequently Asked Questions

What is the IUPAC name of 11-benzyl-6-pyridin-4-yl-12-oxa-2,5-diazatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraen-13-one?
The IUPAC name of 11-benzyl-6-pyridin-4-yl-12-oxa-2,5-diazatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraen-13-one (CID 159269623) is 11-benzyl-6-pyridin-4-yl-12-oxa-2,5-diazatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraen-13-one.
What is the SMILES notation for 11-benzyl-6-pyridin-4-yl-12-oxa-2,5-diazatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraen-13-one?
The canonical SMILES for 11-benzyl-6-pyridin-4-yl-12-oxa-2,5-diazatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraen-13-one is O=C1Cc2nc3c(cc2CC(Cc2ccccc2)O1)C(c1ccncc1)=NC3.
What is the InChIKey of 11-benzyl-6-pyridin-4-yl-12-oxa-2,5-diazatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraen-13-one?
The InChIKey is DANSIQNBKANDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c27-22-13-20-17(11-18(28-22)10-15-4-2-1-3-5-15)12-19-21(26-20)14-25-23(19)16-6-8-24-9-7-16/h1-9,12,18H,10-11,13-14H2.
What are the key properties of 11-benzyl-6-pyridin-4-yl-12-oxa-2,5-diazatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraen-13-one?
11-benzyl-6-pyridin-4-yl-12-oxa-2,5-diazatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraen-13-one has a molecular weight of 369.42 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-benzyl-6-pyridin-4-yl-12-oxa-2,5-diazatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraen-13-one is sourced from PubChem (CID 159269623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).