8-(2,6-dimethylmorpholin-4-yl)-5-(6-phenyl-3-pyridinyl)-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one

C26H26N6O2 — CID 137166375

IUPAC8-(2,6-dimethylmorpholin-4-yl)-5-(6-phenyl-3-pyridinyl)-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one
SMILESCC1CN(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c3c2C(=O)CCN3)CC(C)O1
InChIInChI=1S/C26H26N6O2/c1-16-14-31(15-17(2)34-16)26-23-22(33)10-11-27-25(23)32-24(30-26)20(13-29-32)19-8-9-21(28-12-19)18-6-4-3-5-7-18/h3-9,12-13,16-17,27H,10-11,14-15H2,1-2H3
InChIKeyWTYPMKOHEVDZIX-UHFFFAOYSA-N
MW454.53 g/mol
LogP4.07
Rot. Bonds3

About 8-(2,6-dimethylmorpholin-4-yl)-5-(6-phenyl-3-pyridinyl)-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one

8-(2,6-dimethylmorpholin-4-yl)-5-(6-phenyl-3-pyridinyl)-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one (PubChem CID 137166375) has the molecular formula C26H26N6O2 and a molecular weight of 454.53 g/mol. Its IUPAC name is 8-(2,6-dimethylmorpholin-4-yl)-5-(6-phenyl-3-pyridinyl)-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one.

Molecular Properties

Compound Name8-(2,6-dimethylmorpholin-4-yl)-5-(6-phenyl-3-pyridinyl)-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one
PubChem CID137166375
Molecular FormulaC26H26N6O2
Molecular Weight454.53 g/mol
Exact Mass454.21
IUPAC Name8-(2,6-dimethylmorpholin-4-yl)-5-(6-phenyl-3-pyridinyl)-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one
SMILESCC1CN(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c3c2C(=O)CCN3)CC(C)O1
InChIInChI=1S/C26H26N6O2/c1-16-14-31(15-17(2)34-16)26-23-22(33)10-11-27-25(23)32-24(30-26)20(13-29-32)19-8-9-21(28-12-19)18-6-4-3-5-7-18/h3-9,12-13,16-17,27H,10-11,14-15H2,1-2H3
InChIKeyWTYPMKOHEVDZIX-UHFFFAOYSA-N
XLogP4.07
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 8-(2,6-dimethylmorpholin-4-yl)-5-(6-phenyl-3-pyridinyl)-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one with MolForge

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Related Compounds

5-(6-phenyl-3-pyridinyl)-8-piperidin-1-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one
CID 136635510
12-[3-[5-[8-(2,6-dimethylmorpholin-4-yl)-10-oxo-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-5-yl]-2-pyridinyl]phenyl]-8-[1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]piperidin-4-yl]-5-(6-phenyl-3-pyridinyl)-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one
CID 137127915
4-[5-methyl-10-(6-phenyl-3-pyridinyl)-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl]thiane 1,1-dioxide
CID 135998718
5-[6-(3-fluoro-4-methoxyphenyl)-3-pyridinyl]-8-[5-(1H-1,2,4-triazole-5-carbonyl)-5-azatricyclo[4.3.0.01,4]nonan-8-yl]-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one
CID 154473489
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171386018
N-amino-N'-[3-oxo-3-[4-[10-oxo-5-[6-(1H-pyrazol-5-yl)-3-pyridinyl]-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-8-yl]-2-propylpiperidin-1-yl]prop-1-en-2-yl]methanimidamide
CID 137031418
4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-(hydroxymethyl)cyclohexan-1-ol
CID 66583993
6-[7-amino-6-methyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]spiro[2.5]octane-2-carboxylic acid
CID 91170541
5-[6-(2H-pyrrol-5-yl)-3-pyridinyl]-8-[8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one
CID 157447229
5-(6-methyl-3-bicyclo[3.2.1]octanyl)-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 71128351
[(1R,5S)-3-[7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]-piperidin-2-ylmethanone
CID 71115615
5-[(1R,5S)-3-bicyclo[3.2.1]octanyl]-6-methyl-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 71128260

Frequently Asked Questions

What is the IUPAC name of 8-(2,6-dimethylmorpholin-4-yl)-5-(6-phenyl-3-pyridinyl)-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one?
The IUPAC name of 8-(2,6-dimethylmorpholin-4-yl)-5-(6-phenyl-3-pyridinyl)-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one (CID 137166375) is 8-(2,6-dimethylmorpholin-4-yl)-5-(6-phenyl-3-pyridinyl)-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one.
What is the SMILES notation for 8-(2,6-dimethylmorpholin-4-yl)-5-(6-phenyl-3-pyridinyl)-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one?
The canonical SMILES for 8-(2,6-dimethylmorpholin-4-yl)-5-(6-phenyl-3-pyridinyl)-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one is CC1CN(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c3c2C(=O)CCN3)CC(C)O1.
What is the InChIKey of 8-(2,6-dimethylmorpholin-4-yl)-5-(6-phenyl-3-pyridinyl)-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one?
The InChIKey is WTYPMKOHEVDZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2/c1-16-14-31(15-17(2)34-16)26-23-22(33)10-11-27-25(23)32-24(30-26)20(13-29-32)19-8-9-21(28-12-19)18-6-4-3-5-7-18/h3-9,12-13,16-17,27H,10-11,14-15H2,1-2H3.
What are the key properties of 8-(2,6-dimethylmorpholin-4-yl)-5-(6-phenyl-3-pyridinyl)-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one?
8-(2,6-dimethylmorpholin-4-yl)-5-(6-phenyl-3-pyridinyl)-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one has a molecular weight of 454.53 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-dimethylmorpholin-4-yl)-5-(6-phenyl-3-pyridinyl)-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one is sourced from PubChem (CID 137166375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).