5-[9-[(5,6-dimethyl-2-pyridinyl)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

C22H23N7O2 — CID 11316040

IUPAC5-[9-[(5,6-dimethyl-2-pyridinyl)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
SMILESCc1noc(-c2nnc3c4c(c(OCc5ccc(C)c(C)n5)nn23)C2CCC4CC2)n1
InChIInChI=1S/C22H23N7O2/c1-11-4-9-16(23-12(11)2)10-30-21-18-15-7-5-14(6-8-15)17(18)19-25-26-20(29(19)27-21)22-24-13(3)28-31-22/h4,9,14-15H,5-8,10H2,1-3H3
InChIKeyHEGJYRQUDMITRQ-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.83
Rot. Bonds4

About 5-[9-[(5,6-dimethyl-2-pyridinyl)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

5-[9-[(5,6-dimethyl-2-pyridinyl)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 (PubChem CID 11316040) has the molecular formula C22H23N7O2 and a molecular weight of 417.47 g/mol. Its IUPAC name is 5-[9-[(5,6-dimethyl-2-pyridinyl)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.

Molecular Properties

Compound Name5-[9-[(5,6-dimethyl-2-pyridinyl)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
PubChem CID11316040
Molecular FormulaC22H23N7O2
Molecular Weight417.47 g/mol
Exact Mass417.19
IUPAC Name5-[9-[(5,6-dimethyl-2-pyridinyl)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
SMILESCc1noc(-c2nnc3c4c(c(OCc5ccc(C)c(C)n5)nn23)C2CCC4CC2)n1
InChIInChI=1S/C22H23N7O2/c1-11-4-9-16(23-12(11)2)10-30-21-18-15-7-5-14(6-8-15)17(18)19-25-26-20(29(19)27-21)22-24-13(3)28-31-22/h4,9,14-15H,5-8,10H2,1-3H3
InChIKeyHEGJYRQUDMITRQ-UHFFFAOYSA-N
XLogP3.83
TPSA104.12 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5-[9-[(5,6-dimethyl-2-pyridinyl)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 with MolForge

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Related Compounds

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
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
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
3-(5-Methyl-isoxazol-3-yl)-6-(6-methyl-pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine
CID 11372179
3-Methyl-5-[9-(pyridin-3-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 11429190
2-[[6-(3-Methyl-1,2,4-oxadiazol-5-yl)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-9-yl]oxymethyl]benzonitrile
CID 11441341
6-(6-Methylpyridin-2-yl)methyloxy-3-phenyl-1,2,4-triazolo[3,4-a]phthalazine
CID 11462750
3-Cyclopropyl-6-(6-methyl-pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine
CID 11232809
9-[(3,5-Dimethyl-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 11407253
9-[(3,4-Dimethyl-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 11429815
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

Frequently Asked Questions

What is the IUPAC name of 5-[9-[(5,6-dimethyl-2-pyridinyl)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?
The IUPAC name of 5-[9-[(5,6-dimethyl-2-pyridinyl)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 11316040) is 5-[9-[(5,6-dimethyl-2-pyridinyl)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.
What is the SMILES notation for 5-[9-[(5,6-dimethyl-2-pyridinyl)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?
The canonical SMILES for 5-[9-[(5,6-dimethyl-2-pyridinyl)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 is Cc1noc(-c2nnc3c4c(c(OCc5ccc(C)c(C)n5)nn23)C2CCC4CC2)n1.
What is the InChIKey of 5-[9-[(5,6-dimethyl-2-pyridinyl)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?
The InChIKey is HEGJYRQUDMITRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O2/c1-11-4-9-16(23-12(11)2)10-30-21-18-15-7-5-14(6-8-15)17(18)19-25-26-20(29(19)27-21)22-24-13(3)28-31-22/h4,9,14-15H,5-8,10H2,1-3H3.
What are the key properties of 5-[9-[(5,6-dimethyl-2-pyridinyl)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?
5-[9-[(5,6-dimethyl-2-pyridinyl)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 has a molecular weight of 417.47 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-[(5,6-dimethyl-2-pyridinyl)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 is sourced from PubChem (CID 11316040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).