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

C23H27N3 — CID 142759237

IUPAC5,16-dimethyl-9-(2-pyridin-4-ylethyl)-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraene
SMILESCc1ccc2c(c1)c1c(n2CCc2ccncc2)CC2CCCC1N2C
InChIInChI=1S/C23H27N3/c1-16-6-7-20-19(14-16)23-21-5-3-4-18(25(21)2)15-22(23)26(20)13-10-17-8-11-24-12-9-17/h6-9,11-12,14,18,21H,3-5,10,13,15H2,1-2H3
InChIKeyGKRYBUJYSFGKJR-UHFFFAOYSA-N
MW345.49 g/mol
LogP4.67
Rot. Bonds3

About 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

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 (PubChem CID 142759237) has the molecular formula C23H27N3 and a molecular weight of 345.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5,16-dimethyl-9-(2-pyridin-4-ylethyl)-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraene
PubChem CID142759237
Molecular FormulaC23H27N3
Molecular Weight345.49 g/mol
Exact Mass345.22
IUPAC Name5,16-dimethyl-9-(2-pyridin-4-ylethyl)-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraene
SMILESCc1ccc2c(c1)c1c(n2CCc2ccncc2)CC2CCCC1N2C
InChIInChI=1S/C23H27N3/c1-16-6-7-20-19(14-16)23-21-5-3-4-18(25(21)2)15-22(23)26(20)13-10-17-8-11-24-12-9-17/h6-9,11-12,14,18,21H,3-5,10,13,15H2,1-2H3
InChIKeyGKRYBUJYSFGKJR-UHFFFAOYSA-N
XLogP4.67
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

(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
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
16-methyl-9-(3-phenylpropyl)-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene
CID 142759487
5-methoxy-15-methyl-9-(2-pyridin-3-ylethyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
CID 142758930
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
5-chloro-9-[2-(4-methoxyphenyl)ethyl]-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
CID 59285323
1,2,3,8-tetramethyl-5-[2-(4-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759440
9-[2-(4-methoxyphenyl)ethyl]-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene
CID 142759287
1,2,3,8-tetramethyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759333
(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
9-[2-(4-chlorophenyl)ethyl]-15-methyl-5-(trifluoromethoxy)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
CID 67545513
5-chloro-15-methyl-9-propyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
CID 143870028

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc2c(c1)c1c(n2CCc2ccncc2)CC2CCCC1N2C.
What is the InChIKey of 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?
The InChIKey is GKRYBUJYSFGKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3/c1-16-6-7-20-19(14-16)23-21-5-3-4-18(25(21)2)15-22(23)26(20)13-10-17-8-11-24-12-9-17/h6-9,11-12,14,18,21H,3-5,10,13,15H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 345.49 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 142759237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).