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

C20H17F3N6O3 — CID 154925081

IUPAC3-(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
SMILESCc1ncc2c(c1-c1noc(-c3cnn4ccccc34)n1)CCNC2.O=C(O)C(F)(F)F
InChIInChI=1S/C18H16N6O.C2HF3O2/c1-11-16(13-5-6-19-8-12(13)9-20-11)17-22-18(25-23-17)14-10-21-24-7-3-2-4-15(14)24;3-2(4,5)1(6)7/h2-4,7,9-10,19H,5-6,8H2,1H3;(H,6,7)
InChIKeyCOVRGJJXZKXOGU-UHFFFAOYSA-N
MW446.39 g/mol
LogP3.03
Rot. Bonds2

About 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

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 (PubChem CID 154925081) has the molecular formula C20H17F3N6O3 and a molecular weight of 446.39 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(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
PubChem CID154925081
Molecular FormulaC20H17F3N6O3
Molecular Weight446.39 g/mol
Exact Mass446.13
IUPAC Name3-(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
SMILESCc1ncc2c(c1-c1noc(-c3cnn4ccccc34)n1)CCNC2.O=C(O)C(F)(F)F
InChIInChI=1S/C18H16N6O.C2HF3O2/c1-11-16(13-5-6-19-8-12(13)9-20-11)17-22-18(25-23-17)14-10-21-24-7-3-2-4-15(14)24;3-2(4,5)1(6)7/h2-4,7,9-10,19H,5-6,8H2,1H3;(H,6,7)
InChIKeyCOVRGJJXZKXOGU-UHFFFAOYSA-N
XLogP3.03
TPSA118.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.39
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ncc2c(c1-c1noc(-c3cnn4ccccc34)n1)CCNC2.O=C(O)C(F)(F)F.
What is the InChIKey of 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?
The InChIKey is COVRGJJXZKXOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O.C2HF3O2/c1-11-16(13-5-6-19-8-12(13)9-20-11)17-22-18(25-23-17)14-10-21-24-7-3-2-4-15(14)24;3-2(4,5)1(6)7/h2-4,7,9-10,19H,5-6,8H2,1H3;(H,6,7).
What are the key properties of 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?
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 has a molecular weight of 446.39 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 154925081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).