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;2,2,2-trifluoroacetic acid

C24H23F3N6O3 — CID 154892049

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;2,2,2-trifluoroacetic acid
SMILESCc1cc(C)n(-c2ccc(-c3nc(-c4c(C)ncc5c4CCNC5)no3)cc2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C22H22N6O.C2HF3O2/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;3-2(4,5)1(6)7/h4-7,10,12,23H,8-9,11H2,1-3H3;(H,6,7)
InChIKeyMUJWAUMQHWQKFU-UHFFFAOYSA-N
MW500.48 g/mol
LogP4.19
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;2,2,2-trifluoroacetic acid

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;2,2,2-trifluoroacetic acid (PubChem CID 154892049) has the molecular formula C24H23F3N6O3 and a molecular weight of 500.48 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;2,2,2-trifluoroacetic acid.

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;2,2,2-trifluoroacetic acid
PubChem CID154892049
Molecular FormulaC24H23F3N6O3
Molecular Weight500.48 g/mol
Exact Mass500.18
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;2,2,2-trifluoroacetic acid
SMILESCc1cc(C)n(-c2ccc(-c3nc(-c4c(C)ncc5c4CCNC5)no3)cc2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C22H22N6O.C2HF3O2/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;3-2(4,5)1(6)7/h4-7,10,12,23H,8-9,11H2,1-3H3;(H,6,7)
InChIKeyMUJWAUMQHWQKFU-UHFFFAOYSA-N
XLogP4.19
TPSA118.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.48
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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;hydrochloride
CID 166597891
5-(6-methyl-3-pyridinyl)-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid
CID 154888025
5-(2-methyl-3H-benzimidazol-5-yl)-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;bis(2,2,2-trifluoroacetic acid)
CID 154924342
3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-5-pyrazolo[1,5-a]pyridin-3-yl-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid
CID 154925081
N-methyl-3-[3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 154924377
3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-5-[3-(1,2,4-triazol-4-yl)phenyl]-1,2,4-oxadiazole
CID 28956775
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
5-[2-(1,3-benzothiazol-2-yl)ethyl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid
CID 154889638
3-[3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 28871798
4-chloro-2-[3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 135860454
5-[1-(6-methyl-2-pyridinyl)imidazol-4-yl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;hydrochloride
CID 166597729
5-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;hydrochloride
CID 166597758

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;2,2,2-trifluoroacetic acid?
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;2,2,2-trifluoroacetic acid (CID 154892049) 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;2,2,2-trifluoroacetic acid.
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;2,2,2-trifluoroacetic acid?
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;2,2,2-trifluoroacetic acid is Cc1cc(C)n(-c2ccc(-c3nc(-c4c(C)ncc5c4CCNC5)no3)cc2)n1.O=C(O)C(F)(F)F.
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;2,2,2-trifluoroacetic acid?
The InChIKey is MUJWAUMQHWQKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O.C2HF3O2/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;3-2(4,5)1(6)7/h4-7,10,12,23H,8-9,11H2,1-3H3;(H,6,7).
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;2,2,2-trifluoroacetic acid?
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;2,2,2-trifluoroacetic acid has a molecular weight of 500.48 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 8 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;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154892049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).