5-[9-[(6-methyl-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-propan-2-yl-1,2,4-oxadiazole

C23H25N7O2 — CID 11270395

IUPAC5-[9-[(6-methyl-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-propan-2-yl-1,2,4-oxadiazole
SMILESCc1cccc(COc2nn3c(-c4nc(C(C)C)no4)nnc3c3c2C2CCC3CC2)n1
InChIInChI=1S/C23H25N7O2/c1-12(2)19-25-23(32-29-19)21-27-26-20-17-14-7-9-15(10-8-14)18(17)22(28-30(20)21)31-11-16-6-4-5-13(3)24-16/h4-6,12,14-15H,7-11H2,1-3H3
InChIKeyYHHCQFOSZRZNQC-UHFFFAOYSA-N
MW431.50 g/mol
LogP4.33
Rot. Bonds5

About 5-[9-[(6-methyl-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-propan-2-yl-1,2,4-oxadiazole

5-[9-[(6-methyl-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-propan-2-yl-1,2,4-oxadiazole (PubChem CID 11270395) has the molecular formula C23H25N7O2 and a molecular weight of 431.50 g/mol. Its IUPAC name is 5-[9-[(6-methyl-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-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[9-[(6-methyl-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-propan-2-yl-1,2,4-oxadiazole
PubChem CID11270395
Molecular FormulaC23H25N7O2
Molecular Weight431.50 g/mol
Exact Mass431.21
IUPAC Name5-[9-[(6-methyl-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-propan-2-yl-1,2,4-oxadiazole
SMILESCc1cccc(COc2nn3c(-c4nc(C(C)C)no4)nnc3c3c2C2CCC3CC2)n1
InChIInChI=1S/C23H25N7O2/c1-12(2)19-25-23(32-29-19)21-27-26-20-17-14-7-9-15(10-8-14)18(17)22(28-30(20)21)31-11-16-6-4-5-13(3)24-16/h4-6,12,14-15H,7-11H2,1-3H3
InChIKeyYHHCQFOSZRZNQC-UHFFFAOYSA-N
XLogP4.33
TPSA104.12 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5-[9-[(6-methyl-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-propan-2-yl-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
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
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
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
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-[(3,4-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

Frequently Asked Questions

What is the IUPAC name of 5-[9-[(6-methyl-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-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[9-[(6-methyl-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-propan-2-yl-1,2,4-oxadiazole (CID 11270395) is 5-[9-[(6-methyl-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-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[9-[(6-methyl-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-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[9-[(6-methyl-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-propan-2-yl-1,2,4-oxadiazole is Cc1cccc(COc2nn3c(-c4nc(C(C)C)no4)nnc3c3c2C2CCC3CC2)n1.
What is the InChIKey of 5-[9-[(6-methyl-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-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is YHHCQFOSZRZNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O2/c1-12(2)19-25-23(32-29-19)21-27-26-20-17-14-7-9-15(10-8-14)18(17)22(28-30(20)21)31-11-16-6-4-5-13(3)24-16/h4-6,12,14-15H,7-11H2,1-3H3.
What are the key properties of 5-[9-[(6-methyl-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-propan-2-yl-1,2,4-oxadiazole?
5-[9-[(6-methyl-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-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 431.50 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-[(6-methyl-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-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 11270395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).