6-(4-chlorophenyl)-9-pyridin-4-yl-3-oxa-2,5,7,9-tetrazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene

C19H14ClN5O — CID 142948413

IUPAC6-(4-chlorophenyl)-9-pyridin-4-yl-3-oxa-2,5,7,9-tetrazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene
SMILESClc1ccc(-c2nc3c4c(noc4n2)CCCN3c2ccncc2)cc1
InChIInChI=1S/C19H14ClN5O/c20-13-5-3-12(4-6-13)17-22-18-16-15(24-26-19(16)23-17)2-1-11-25(18)14-7-9-21-10-8-14/h3-10H,1-2,11H2
InChIKeyZTFWUCBLMSJAAS-UHFFFAOYSA-N
MW363.81 g/mol
LogP4.42
Rot. Bonds2

About 6-(4-chlorophenyl)-9-pyridin-4-yl-3-oxa-2,5,7,9-tetrazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene

6-(4-chlorophenyl)-9-pyridin-4-yl-3-oxa-2,5,7,9-tetrazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene (PubChem CID 142948413) has the molecular formula C19H14ClN5O and a molecular weight of 363.81 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-9-pyridin-4-yl-3-oxa-2,5,7,9-tetrazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene.

Molecular Properties

Compound Name6-(4-chlorophenyl)-9-pyridin-4-yl-3-oxa-2,5,7,9-tetrazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene
PubChem CID142948413
Molecular FormulaC19H14ClN5O
Molecular Weight363.81 g/mol
Exact Mass363.09
IUPAC Name6-(4-chlorophenyl)-9-pyridin-4-yl-3-oxa-2,5,7,9-tetrazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene
SMILESClc1ccc(-c2nc3c4c(noc4n2)CCCN3c2ccncc2)cc1
InChIInChI=1S/C19H14ClN5O/c20-13-5-3-12(4-6-13)17-22-18-16-15(24-26-19(16)23-17)2-1-11-25(18)14-7-9-21-10-8-14/h3-10H,1-2,11H2
InChIKeyZTFWUCBLMSJAAS-UHFFFAOYSA-N
XLogP4.42
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.81
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(4-chlorophenyl)-9-pyridin-4-yl-3-oxa-2,5,7,9-tetrazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene with MolForge

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Related Compounds

5-(4-chlorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 750618
2-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,2-oxazolidine
CID 75484714
3-(4-chlorophenyl)-5-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2,4-oxadiazole
CID 24917376
4,5-dichloro-2-(4-chlorophenyl)-6-piperidin-1-ylpyrimidine
CID 23766927
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one
CID 9255728
ethane;3-pyridin-4-yl-5-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole
CID 143910207
4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)thiomorpholine
CID 53192919
3-(4-chlorophenyl)-6-methyl-5-[4-(3-oxomorpholin-4-yl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one
CID 118726915
6-(4-pyridin-4-ylphenyl)-1,3,5-triazine-2,4-diamine
CID 139144277
3-(4-chlorophenyl)-5-[[4-[(5-pyridin-4-ylpyrazol-1-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 56539056
1-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one
CID 177371369
1-(4-chlorophenyl)-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 24938561

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-9-pyridin-4-yl-3-oxa-2,5,7,9-tetrazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene?
The IUPAC name of 6-(4-chlorophenyl)-9-pyridin-4-yl-3-oxa-2,5,7,9-tetrazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene (CID 142948413) is 6-(4-chlorophenyl)-9-pyridin-4-yl-3-oxa-2,5,7,9-tetrazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene.
What is the SMILES notation for 6-(4-chlorophenyl)-9-pyridin-4-yl-3-oxa-2,5,7,9-tetrazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene?
The canonical SMILES for 6-(4-chlorophenyl)-9-pyridin-4-yl-3-oxa-2,5,7,9-tetrazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene is Clc1ccc(-c2nc3c4c(noc4n2)CCCN3c2ccncc2)cc1.
What is the InChIKey of 6-(4-chlorophenyl)-9-pyridin-4-yl-3-oxa-2,5,7,9-tetrazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene?
The InChIKey is ZTFWUCBLMSJAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5O/c20-13-5-3-12(4-6-13)17-22-18-16-15(24-26-19(16)23-17)2-1-11-25(18)14-7-9-21-10-8-14/h3-10H,1-2,11H2.
What are the key properties of 6-(4-chlorophenyl)-9-pyridin-4-yl-3-oxa-2,5,7,9-tetrazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene?
6-(4-chlorophenyl)-9-pyridin-4-yl-3-oxa-2,5,7,9-tetrazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene has a molecular weight of 363.81 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-9-pyridin-4-yl-3-oxa-2,5,7,9-tetrazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene is sourced from PubChem (CID 142948413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).