4-(6-methoxy-3-pyridinyl)-15-phenyl-1,8,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-2(7),3,5,8-tetraene

C24H22N4O — CID 135285910

IUPAC4-(6-methoxy-3-pyridinyl)-15-phenyl-1,8,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-2(7),3,5,8-tetraene
SMILESCOc1ccc(-c2ccc3nc4n(c3c2)C(c2ccccc2)C2CNCC42)cn1
InChIInChI=1S/C24H22N4O/c1-29-22-10-8-17(12-26-22)16-7-9-20-21(11-16)28-23(15-5-3-2-4-6-15)18-13-25-14-19(18)24(28)27-20/h2-12,18-19,23,25H,13-14H2,1H3
InChIKeyDDDWRDSBPPTAAS-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.01
Rot. Bonds3

About 4-(6-methoxy-3-pyridinyl)-15-phenyl-1,8,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-2(7),3,5,8-tetraene

4-(6-methoxy-3-pyridinyl)-15-phenyl-1,8,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-2(7),3,5,8-tetraene (PubChem CID 135285910) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is 4-(6-methoxy-3-pyridinyl)-15-phenyl-1,8,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-2(7),3,5,8-tetraene.

Molecular Properties

Compound Name4-(6-methoxy-3-pyridinyl)-15-phenyl-1,8,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-2(7),3,5,8-tetraene
PubChem CID135285910
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC Name4-(6-methoxy-3-pyridinyl)-15-phenyl-1,8,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-2(7),3,5,8-tetraene
SMILESCOc1ccc(-c2ccc3nc4n(c3c2)C(c2ccccc2)C2CNCC42)cn1
InChIInChI=1S/C24H22N4O/c1-29-22-10-8-17(12-26-22)16-7-9-20-21(11-16)28-23(15-5-3-2-4-6-15)18-13-25-14-19(18)24(28)27-20/h2-12,18-19,23,25H,13-14H2,1H3
InChIKeyDDDWRDSBPPTAAS-UHFFFAOYSA-N
XLogP4.01
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(6-methoxy-3-pyridinyl)-15-phenyl-1,8,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-2(7),3,5,8-tetraene with MolForge

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Related Compounds

8-(6-methoxy-3-pyridinyl)-11-phenyl-4,4a,11,11a-tetrahydro-1H-isoindolo[2,1-a]benzimidazole
CID 135285922
(10S,14R,15R)-4-(2-cyclobutyl-6-methoxy-3-pyridinyl)-15-phenyl-1,8,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-2(7),3,5,8-tetraene
CID 155131802
1-[(10S,14R,15R)-4-(6-methoxy-2-phenyl-3-pyridinyl)-15-phenyl-1,8,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-2(7),3,5,8-tetraen-12-yl]ethanone
CID 135296259
4-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-6-(6-methoxy-3-pyridinyl)quinazoline
CID 175876083
7-(5-fluoro-6-methoxy-3-pyridinyl)-4-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole
CID 122622623
6-(6-methoxy-3-pyridinyl)-4-[(3S)-pyrrolidin-3-yl]oxyquinazoline
CID 141419886
6-(6-methoxy-3-pyridinyl)-4-(2-methylpiperazin-1-yl)quinazoline
CID 175875955
5-(4-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-7-yl)pyrimidine-2-carbonitrile
CID 122622037
5-(3-fluorophenyl)-2-methoxypyridine
CID 46313001
7-(2-chloropyrimidin-5-yl)-4-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole
CID 122622131
7-(6-methoxy-3-pyridinyl)-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 58416402
5-(4-iodophenyl)-2-methoxypyridine
CID 121329970

Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxy-3-pyridinyl)-15-phenyl-1,8,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-2(7),3,5,8-tetraene?
The IUPAC name of 4-(6-methoxy-3-pyridinyl)-15-phenyl-1,8,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-2(7),3,5,8-tetraene (CID 135285910) is 4-(6-methoxy-3-pyridinyl)-15-phenyl-1,8,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-2(7),3,5,8-tetraene.
What is the SMILES notation for 4-(6-methoxy-3-pyridinyl)-15-phenyl-1,8,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-2(7),3,5,8-tetraene?
The canonical SMILES for 4-(6-methoxy-3-pyridinyl)-15-phenyl-1,8,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-2(7),3,5,8-tetraene is COc1ccc(-c2ccc3nc4n(c3c2)C(c2ccccc2)C2CNCC42)cn1.
What is the InChIKey of 4-(6-methoxy-3-pyridinyl)-15-phenyl-1,8,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-2(7),3,5,8-tetraene?
The InChIKey is DDDWRDSBPPTAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c1-29-22-10-8-17(12-26-22)16-7-9-20-21(11-16)28-23(15-5-3-2-4-6-15)18-13-25-14-19(18)24(28)27-20/h2-12,18-19,23,25H,13-14H2,1H3.
What are the key properties of 4-(6-methoxy-3-pyridinyl)-15-phenyl-1,8,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-2(7),3,5,8-tetraene?
4-(6-methoxy-3-pyridinyl)-15-phenyl-1,8,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-2(7),3,5,8-tetraene has a molecular weight of 382.47 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-3-pyridinyl)-15-phenyl-1,8,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-2(7),3,5,8-tetraene is sourced from PubChem (CID 135285910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).