5-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole

C22H22N6O — CID 29181415

IUPAC5-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole
SMILESCc1cc(C)n(-c2ccc(-c3nc(-c4c(C)ncc5c4CCNC5)no3)cc2)n1
InChIInChI=1S/C22H22N6O/c1-13-10-14(2)28(26-13)18-6-4-16(5-7-18)22-25-21(27-29-22)20-15(3)24-12-17-11-23-9-8-19(17)20/h4-7,10,12,23H,8-9,11H2,1-3H3
InChIKeySXPJMSDBSDUVKU-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.56
Rot. Bonds3

About 5-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole

5-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole (PubChem CID 29181415) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is 5-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole
PubChem CID29181415
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Name5-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole
SMILESCc1cc(C)n(-c2ccc(-c3nc(-c4c(C)ncc5c4CCNC5)no3)cc2)n1
InChIInChI=1S/C22H22N6O/c1-13-10-14(2)28(26-13)18-6-4-16(5-7-18)22-25-21(27-29-22)20-15(3)24-12-17-11-23-9-8-19(17)20/h4-7,10,12,23H,8-9,11H2,1-3H3
InChIKeySXPJMSDBSDUVKU-UHFFFAOYSA-N
XLogP3.56
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole (CID 29181415) is 5-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole is Cc1cc(C)n(-c2ccc(-c3nc(-c4c(C)ncc5c4CCNC5)no3)cc2)n1.
What is the InChIKey of 5-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole?
The InChIKey is SXPJMSDBSDUVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c1-13-10-14(2)28(26-13)18-6-4-16(5-7-18)22-25-21(27-29-22)20-15(3)24-12-17-11-23-9-8-19(17)20/h4-7,10,12,23H,8-9,11H2,1-3H3.
What are the key properties of 5-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole?
5-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole has a molecular weight of 386.46 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 29181415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).