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

C18H22N6O — CID 29254089

IUPAC5-[(1S)-1-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole
SMILESCc1cc(C)n([C@@H](C)c2nc(-c3c(C)ncc4c3CCNC4)no2)n1
InChIInChI=1S/C18H22N6O/c1-10-7-11(2)24(22-10)13(4)18-21-17(23-25-18)16-12(3)20-9-14-8-19-6-5-15(14)16/h7,9,13,19H,5-6,8H2,1-4H3/t13-/m0/s1
InChIKeyKQZXMWIPUCOXTH-ZDUSSCGKSA-N
MW338.42 g/mol
LogP2.51
Rot. Bonds3

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

5-[(1S)-1-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole (PubChem CID 29254089) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 5-[(1S)-1-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1S)-1-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole
PubChem CID29254089
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name5-[(1S)-1-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole
SMILESCc1cc(C)n([C@@H](C)c2nc(-c3c(C)ncc4c3CCNC4)no2)n1
InChIInChI=1S/C18H22N6O/c1-10-7-11(2)24(22-10)13(4)18-21-17(23-25-18)16-12(3)20-9-14-8-19-6-5-15(14)16/h7,9,13,19H,5-6,8H2,1-4H3/t13-/m0/s1
InChIKeyKQZXMWIPUCOXTH-ZDUSSCGKSA-N
XLogP2.51
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[(1S)-1-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(1S)-1-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole (CID 29254089) is 5-[(1S)-1-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1S)-1-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1S)-1-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole is Cc1cc(C)n([C@@H](C)c2nc(-c3c(C)ncc4c3CCNC4)no2)n1.
What is the InChIKey of 5-[(1S)-1-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole?
The InChIKey is KQZXMWIPUCOXTH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H22N6O/c1-10-7-11(2)24(22-10)13(4)18-21-17(23-25-18)16-12(3)20-9-14-8-19-6-5-15(14)16/h7,9,13,19H,5-6,8H2,1-4H3/t13-/m0/s1.
What are the key properties of 5-[(1S)-1-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole?
5-[(1S)-1-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole has a molecular weight of 338.42 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 29254089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).