11-methyl-6-[5-[4-(morpholine-4-carbonyl)phenyl]-3-pyridinyl]-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one

C27H25N5O3 — CID 142612762

IUPAC11-methyl-6-[5-[4-(morpholine-4-carbonyl)phenyl]-3-pyridinyl]-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one
SMILESCN1CCn2c(cc3c(-c4cncc(-c5ccc(C(=O)N6CCOCC6)cc5)c4)ccnc32)C1=O
InChIInChI=1S/C27H25N5O3/c1-30-8-9-32-24(27(30)34)15-23-22(6-7-29-25(23)32)21-14-20(16-28-17-21)18-2-4-19(5-3-18)26(33)31-10-12-35-13-11-31/h2-7,14-17H,8-13H2,1H3
InChIKeyNUPWLLFFSARTFK-UHFFFAOYSA-N
MW467.53 g/mol
LogP3.32
Rot. Bonds3

About 11-methyl-6-[5-[4-(morpholine-4-carbonyl)phenyl]-3-pyridinyl]-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one

11-methyl-6-[5-[4-(morpholine-4-carbonyl)phenyl]-3-pyridinyl]-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one (PubChem CID 142612762) has the molecular formula C27H25N5O3 and a molecular weight of 467.53 g/mol. Its IUPAC name is 11-methyl-6-[5-[4-(morpholine-4-carbonyl)phenyl]-3-pyridinyl]-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one.

Molecular Properties

Compound Name11-methyl-6-[5-[4-(morpholine-4-carbonyl)phenyl]-3-pyridinyl]-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one
PubChem CID142612762
Molecular FormulaC27H25N5O3
Molecular Weight467.53 g/mol
Exact Mass467.20
IUPAC Name11-methyl-6-[5-[4-(morpholine-4-carbonyl)phenyl]-3-pyridinyl]-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one
SMILESCN1CCn2c(cc3c(-c4cncc(-c5ccc(C(=O)N6CCOCC6)cc5)c4)ccnc32)C1=O
InChIInChI=1S/C27H25N5O3/c1-30-8-9-32-24(27(30)34)15-23-22(6-7-29-25(23)32)21-14-20(16-28-17-21)18-2-4-19(5-3-18)26(33)31-10-12-35-13-11-31/h2-7,14-17H,8-13H2,1H3
InChIKeyNUPWLLFFSARTFK-UHFFFAOYSA-N
XLogP3.32
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 11-methyl-6-[5-[4-(morpholine-4-carbonyl)phenyl]-3-pyridinyl]-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one with MolForge

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Related Compounds

1-[4-[5-(morpholine-4-carbonyl)-3-pyridinyl]phenyl]ethanone
CID 42845751
[2-(5-methyl-3-pyridinyl)-4-pyridinyl]-morpholin-4-ylmethanone
CID 74233897
[2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-4-pyridinyl]-morpholin-4-ylmethanone
CID 171623322
[4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]-morpholin-4-ylmethanone
CID 146274494
morpholin-4-yl-[4-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone
CID 118000365
morpholin-4-yl(pyridazin-4-yl)methanone
CID 115736040
morpholin-4-yl-[4-[[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]methanone
CID 117078709
[4-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 3530238
5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxylic acid
CID 70713119
[3-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-morpholin-4-ylmethanone
CID 91832951
1-(2,2-dimethylpropyl)-3-methyl-5-[5-(morpholine-4-carbonyl)-3-pyridinyl]imidazo[4,5-b]pyridin-2-one
CID 54761745
morpholin-4-yl-[2-[6-(5-sulfanyl-3-pyridinyl)quinolin-4-yl]phenyl]methanone
CID 69175321

Frequently Asked Questions

What is the IUPAC name of 11-methyl-6-[5-[4-(morpholine-4-carbonyl)phenyl]-3-pyridinyl]-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one?
The IUPAC name of 11-methyl-6-[5-[4-(morpholine-4-carbonyl)phenyl]-3-pyridinyl]-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one (CID 142612762) is 11-methyl-6-[5-[4-(morpholine-4-carbonyl)phenyl]-3-pyridinyl]-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one.
What is the SMILES notation for 11-methyl-6-[5-[4-(morpholine-4-carbonyl)phenyl]-3-pyridinyl]-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one?
The canonical SMILES for 11-methyl-6-[5-[4-(morpholine-4-carbonyl)phenyl]-3-pyridinyl]-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one is CN1CCn2c(cc3c(-c4cncc(-c5ccc(C(=O)N6CCOCC6)cc5)c4)ccnc32)C1=O.
What is the InChIKey of 11-methyl-6-[5-[4-(morpholine-4-carbonyl)phenyl]-3-pyridinyl]-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one?
The InChIKey is NUPWLLFFSARTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O3/c1-30-8-9-32-24(27(30)34)15-23-22(6-7-29-25(23)32)21-14-20(16-28-17-21)18-2-4-19(5-3-18)26(33)31-10-12-35-13-11-31/h2-7,14-17H,8-13H2,1H3.
What are the key properties of 11-methyl-6-[5-[4-(morpholine-4-carbonyl)phenyl]-3-pyridinyl]-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one?
11-methyl-6-[5-[4-(morpholine-4-carbonyl)phenyl]-3-pyridinyl]-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one has a molecular weight of 467.53 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-6-[5-[4-(morpholine-4-carbonyl)phenyl]-3-pyridinyl]-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one is sourced from PubChem (CID 142612762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).