5-[9-(isoquinolin-3-ylmethoxy)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-6-yl]-3-methyl-1,2,4-oxadiazole

C24H21N7O2 — CID 11464810

IUPAC5-[9-(isoquinolin-3-ylmethoxy)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-6-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(-c2nnc3c4c(c(OCc5cc6ccccc6cn5)nn23)C2CCC4CC2)n1
InChIInChI=1S/C24H21N7O2/c1-13-26-24(33-30-13)22-28-27-21-19-14-6-8-15(9-7-14)20(19)23(29-31(21)22)32-12-18-10-16-4-2-3-5-17(16)11-25-18/h2-5,10-11,14-15H,6-9,12H2,1H3
InChIKeyCDRADZRGYBTOKU-UHFFFAOYSA-N
MW439.48 g/mol
LogP4.36
Rot. Bonds4

About 5-[9-(isoquinolin-3-ylmethoxy)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-6-yl]-3-methyl-1,2,4-oxadiazole

5-[9-(isoquinolin-3-ylmethoxy)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-6-yl]-3-methyl-1,2,4-oxadiazole (PubChem CID 11464810) has the molecular formula C24H21N7O2 and a molecular weight of 439.48 g/mol. Its IUPAC name is 5-[9-(isoquinolin-3-ylmethoxy)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-6-yl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[9-(isoquinolin-3-ylmethoxy)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-6-yl]-3-methyl-1,2,4-oxadiazole
PubChem CID11464810
Molecular FormulaC24H21N7O2
Molecular Weight439.48 g/mol
Exact Mass439.18
IUPAC Name5-[9-(isoquinolin-3-ylmethoxy)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-6-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(-c2nnc3c4c(c(OCc5cc6ccccc6cn5)nn23)C2CCC4CC2)n1
InChIInChI=1S/C24H21N7O2/c1-13-26-24(33-30-13)22-28-27-21-19-14-6-8-15(9-7-14)20(19)23(29-31(21)22)32-12-18-10-16-4-2-3-5-17(16)11-25-18/h2-5,10-11,14-15H,6-9,12H2,1H3
InChIKeyCDRADZRGYBTOKU-UHFFFAOYSA-N
XLogP4.36
TPSA104.12 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5-[9-(isoquinolin-3-ylmethoxy)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-6-yl]-3-methyl-1,2,4-oxadiazole with MolForge

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Related Compounds

3-Phenyl-6-(pyridin-2-ylmethoxy)-7,8,9,10-tetrahydro-[1,2,4]triazolo[3,4-a]phthalazine
CID 9798829
6-Phenyl-9-(pyridin-2-ylmethoxy)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene
CID 9821389
5-Methyl-3-(6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)isoxazole
CID 9885130
9-[(3-Ethoxy-2-pyridinyl)methoxy]-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene
CID 11166241
6-Phenyl-9-(pyrimidin-4-ylmethoxy)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene
CID 11176580
9-[(3-Methyl-2-pyridinyl)methoxy]-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene
CID 11176957
9-[[3-(Cyclopropylmethoxy)-2-pyridinyl]methoxy]-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene
CID 11213176
9-[(1-Benzylimidazol-2-yl)methoxy]-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene
CID 11236588
6-Phenyl-9-(pyridazin-3-ylmethoxy)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene
CID 11269113
9-[(1-Ethylimidazol-2-yl)methoxy]-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene
CID 11292514
3-Methyl-5-[9-(pyridin-2-ylmethoxy)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-6-yl]-1,2,4-oxadiazole
CID 11303820
5-[9-[(2-Bromophenyl)methoxy]-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-6-yl]-3-methyl-1,2,4-oxadiazole
CID 11305860

Frequently Asked Questions

What is the IUPAC name of 5-[9-(isoquinolin-3-ylmethoxy)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-6-yl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[9-(isoquinolin-3-ylmethoxy)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-6-yl]-3-methyl-1,2,4-oxadiazole (CID 11464810) is 5-[9-(isoquinolin-3-ylmethoxy)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-6-yl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[9-(isoquinolin-3-ylmethoxy)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-6-yl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[9-(isoquinolin-3-ylmethoxy)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-6-yl]-3-methyl-1,2,4-oxadiazole is Cc1noc(-c2nnc3c4c(c(OCc5cc6ccccc6cn5)nn23)C2CCC4CC2)n1.
What is the InChIKey of 5-[9-(isoquinolin-3-ylmethoxy)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-6-yl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is CDRADZRGYBTOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O2/c1-13-26-24(33-30-13)22-28-27-21-19-14-6-8-15(9-7-14)20(19)23(29-31(21)22)32-12-18-10-16-4-2-3-5-17(16)11-25-18/h2-5,10-11,14-15H,6-9,12H2,1H3.
What are the key properties of 5-[9-(isoquinolin-3-ylmethoxy)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-6-yl]-3-methyl-1,2,4-oxadiazole?
5-[9-(isoquinolin-3-ylmethoxy)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-6-yl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 439.48 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-(isoquinolin-3-ylmethoxy)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-6-yl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 11464810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).