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

C22H25N3O — CID 142758930

IUPAC5-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
SMILESCOc1ccc2c(c1)c1c(n2CCc2cccnc2)CC2CCC1N2C
InChIInChI=1S/C22H25N3O/c1-24-16-5-7-20(24)22-18-13-17(26-2)6-8-19(18)25(21(22)12-16)11-9-15-4-3-10-23-14-15/h3-4,6,8,10,13-14,16,20H,5,7,9,11-12H2,1-2H3
InChIKeyACZPUBPSICRYQP-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.98
Rot. Bonds4

About 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

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 (PubChem CID 142758930) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID142758930
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name5-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
SMILESCOc1ccc2c(c1)c1c(n2CCc2cccnc2)CC2CCC1N2C
InChIInChI=1S/C22H25N3O/c1-24-16-5-7-20(24)22-18-13-17(26-2)6-8-19(18)25(21(22)12-16)11-9-15-4-3-10-23-14-15/h3-4,6,8,10,13-14,16,20H,5,7,9,11-12H2,1-2H3
InChIKeyACZPUBPSICRYQP-UHFFFAOYSA-N
XLogP3.98
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc2c(c1)c1c(n2CCc2cccnc2)CC2CCC1N2C.
What is the InChIKey of 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?
The InChIKey is ACZPUBPSICRYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-24-16-5-7-20(24)22-18-13-17(26-2)6-8-19(18)25(21(22)12-16)11-9-15-4-3-10-23-14-15/h3-4,6,8,10,13-14,16,20H,5,7,9,11-12H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 347.46 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 142758930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).