5,15-dimethyl-9-pyridin-3-ylsulfonyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene

C20H21N3O2S — CID 67544305

IUPAC5,15-dimethyl-9-pyridin-3-ylsulfonyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
SMILESCc1ccc2c(c1)c1c(n2S(=O)(=O)c2cccnc2)CC2CCC1N2C
InChIInChI=1S/C20H21N3O2S/c1-13-5-7-17-16(10-13)20-18-8-6-14(22(18)2)11-19(20)23(17)26(24,25)15-4-3-9-21-12-15/h3-5,7,9-10,12,14,18H,6,8,11H2,1-2H3
InChIKeyKDYFBXCYPAHLAB-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.27
Rot. Bonds2

About 5,15-dimethyl-9-pyridin-3-ylsulfonyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene

5,15-dimethyl-9-pyridin-3-ylsulfonyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene (PubChem CID 67544305) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 5,15-dimethyl-9-pyridin-3-ylsulfonyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene.

Molecular Properties

Compound Name5,15-dimethyl-9-pyridin-3-ylsulfonyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
PubChem CID67544305
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name5,15-dimethyl-9-pyridin-3-ylsulfonyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
SMILESCc1ccc2c(c1)c1c(n2S(=O)(=O)c2cccnc2)CC2CCC1N2C
InChIInChI=1S/C20H21N3O2S/c1-13-5-7-17-16(10-13)20-18-8-6-14(22(18)2)11-19(20)23(17)26(24,25)15-4-3-9-21-12-15/h3-5,7,9-10,12,14,18H,6,8,11H2,1-2H3
InChIKeyKDYFBXCYPAHLAB-UHFFFAOYSA-N
XLogP3.27
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5,15-dimethyl-9-pyridin-3-ylsulfonyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene with MolForge

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Related Compounds

5,15-dimethyl-9-[4-(trifluoromethyl)phenyl]sulfonyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
CID 67543792
(1R,12S)-5,15-dimethyl-9-[2-(2-methylpyrimidin-5-yl)ethyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
CID 67545479
5,16-dimethyl-9-(2-pyridin-4-ylethyl)-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraene
CID 142759237
2-(4-chlorophenyl)-1-(5,15-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)propan-2-ol
CID 59285351
16-methyl-9-(2-pyridin-3-ylethyl)-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene
CID 142759372
1,2,3,8-tetramethyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759333
8-(3-methylphenyl)sulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane
CID 121186224
5-fluoro-15-methyl-9-[2-(6-methyl-3-pyridinyl)ethyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
CID 142759228
2-(15-methyl-5,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)-1-piperidin-1-ylethanone
CID 59285330
(1R,12S)-5-methyl-9-[2-(6-methyl-3-pyridinyl)ethyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-15-carboxylic acid
CID 67544775
3-(2-bromo-5-methylpyrrol-1-yl)sulfonylpyridine
CID 159049899
9-pyridin-3-ylsulfonyl-3,9-diazabicyclo[4.2.1]nonane
CID 120719570

Frequently Asked Questions

What is the IUPAC name of 5,15-dimethyl-9-pyridin-3-ylsulfonyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene?
The IUPAC name of 5,15-dimethyl-9-pyridin-3-ylsulfonyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene (CID 67544305) is 5,15-dimethyl-9-pyridin-3-ylsulfonyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene.
What is the SMILES notation for 5,15-dimethyl-9-pyridin-3-ylsulfonyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene?
The canonical SMILES for 5,15-dimethyl-9-pyridin-3-ylsulfonyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene is Cc1ccc2c(c1)c1c(n2S(=O)(=O)c2cccnc2)CC2CCC1N2C.
What is the InChIKey of 5,15-dimethyl-9-pyridin-3-ylsulfonyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene?
The InChIKey is KDYFBXCYPAHLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-13-5-7-17-16(10-13)20-18-8-6-14(22(18)2)11-19(20)23(17)26(24,25)15-4-3-9-21-12-15/h3-5,7,9-10,12,14,18H,6,8,11H2,1-2H3.
What are the key properties of 5,15-dimethyl-9-pyridin-3-ylsulfonyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene?
5,15-dimethyl-9-pyridin-3-ylsulfonyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene has a molecular weight of 367.47 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,15-dimethyl-9-pyridin-3-ylsulfonyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene is sourced from PubChem (CID 67544305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).