15-ethyl-11-pyridin-4-yl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide

C20H15N3O2S — CID 122486626

IUPAC15-ethyl-11-pyridin-4-yl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide
SMILESCCc1nc2cc(-c3ccncc3)cc3c2n1-c1ccccc1S3(=O)=O
InChIInChI=1S/C20H15N3O2S/c1-2-19-22-15-11-14(13-7-9-21-10-8-13)12-18-20(15)23(19)16-5-3-4-6-17(16)26(18,24)25/h3-12H,2H2,1H3
InChIKeyXBCZLNXJQGDPLD-UHFFFAOYSA-N
MW361.43 g/mol
LogP3.80
Rot. Bonds2

About 15-ethyl-11-pyridin-4-yl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide

15-ethyl-11-pyridin-4-yl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide (PubChem CID 122486626) has the molecular formula C20H15N3O2S and a molecular weight of 361.43 g/mol. Its IUPAC name is 15-ethyl-11-pyridin-4-yl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide.

Molecular Properties

Compound Name15-ethyl-11-pyridin-4-yl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide
PubChem CID122486626
Molecular FormulaC20H15N3O2S
Molecular Weight361.43 g/mol
Exact Mass361.09
IUPAC Name15-ethyl-11-pyridin-4-yl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide
SMILESCCc1nc2cc(-c3ccncc3)cc3c2n1-c1ccccc1S3(=O)=O
InChIInChI=1S/C20H15N3O2S/c1-2-19-22-15-11-14(13-7-9-21-10-8-13)12-18-20(15)23(19)16-5-3-4-6-17(16)26(18,24)25/h3-12H,2H2,1H3
InChIKeyXBCZLNXJQGDPLD-UHFFFAOYSA-N
XLogP3.80
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 15-ethyl-11-pyridin-4-yl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide with MolForge

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Related Compounds

11-(3,5-dinaphthalen-2-ylphenyl)-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide
CID 122486632
15-ethyl-8-phenyl-11-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
CID 122493062
15-ethyl-11-phenyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
CID 122469489
5,15-diphenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide;5-(3,5-diphenylphenyl)-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide;15-phenyl-5-[4-(5-phenylthiophen-2-yl)phenyl]-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide;15-phenyl-5-pyridin-4-yl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide
CID 158909004
12-carbazol-9-yl-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide
CID 122486655
10-(3,5-diphenyl-1,3,5-triazine-1,3,5-triium-1-yl)-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide
CID 154612700
15-ethyl-5-pyridin-4-yl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene
CID 122469250
15-ethyl-8,8-dimethyl-11-(4-naphthalen-2-ylphenyl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene
CID 122427008
15-ethyl-3-(10-pyridin-3-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide
CID 122486583
12-(3,5-diphenylphenyl)-15-methyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide
CID 122486640
15-ethyl-11-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
CID 122469500
7-[10-(15-ethyl-8,8-dioxo-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-4-yl)anthracen-9-yl]-9,9-dimethylfluorene-2-carbonitrile
CID 122486532

Frequently Asked Questions

What is the IUPAC name of 15-ethyl-11-pyridin-4-yl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide?
The IUPAC name of 15-ethyl-11-pyridin-4-yl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide (CID 122486626) is 15-ethyl-11-pyridin-4-yl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide.
What is the SMILES notation for 15-ethyl-11-pyridin-4-yl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide?
The canonical SMILES for 15-ethyl-11-pyridin-4-yl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide is CCc1nc2cc(-c3ccncc3)cc3c2n1-c1ccccc1S3(=O)=O.
What is the InChIKey of 15-ethyl-11-pyridin-4-yl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide?
The InChIKey is XBCZLNXJQGDPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2S/c1-2-19-22-15-11-14(13-7-9-21-10-8-13)12-18-20(15)23(19)16-5-3-4-6-17(16)26(18,24)25/h3-12H,2H2,1H3.
What are the key properties of 15-ethyl-11-pyridin-4-yl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide?
15-ethyl-11-pyridin-4-yl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide has a molecular weight of 361.43 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 15-ethyl-11-pyridin-4-yl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide is sourced from PubChem (CID 122486626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).