1-[3-(3,5-difluorophenyl)pyrazolo[1,5-a]pyridin-2-yl]ethanamine;2,2,2-trifluoroacetic acid

C17H14F5N3O2 — CID 67248481

IUPAC1-[3-(3,5-difluorophenyl)pyrazolo[1,5-a]pyridin-2-yl]ethanamine;2,2,2-trifluoroacetic acid
SMILESCC(N)c1nn2ccccc2c1-c1cc(F)cc(F)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H13F2N3.C2HF3O2/c1-9(18)15-14(10-6-11(16)8-12(17)7-10)13-4-2-3-5-20(13)19-15;3-2(4,5)1(6)7/h2-9H,18H2,1H3;(H,6,7)
InChIKeySBIGWVWBDNFEKD-UHFFFAOYSA-N
MW387.31 g/mol
LogP3.93
Rot. Bonds2

About 1-[3-(3,5-difluorophenyl)pyrazolo[1,5-a]pyridin-2-yl]ethanamine;2,2,2-trifluoroacetic acid

1-[3-(3,5-difluorophenyl)pyrazolo[1,5-a]pyridin-2-yl]ethanamine;2,2,2-trifluoroacetic acid (PubChem CID 67248481) has the molecular formula C17H14F5N3O2 and a molecular weight of 387.31 g/mol. Its IUPAC name is 1-[3-(3,5-difluorophenyl)pyrazolo[1,5-a]pyridin-2-yl]ethanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-[3-(3,5-difluorophenyl)pyrazolo[1,5-a]pyridin-2-yl]ethanamine;2,2,2-trifluoroacetic acid
PubChem CID67248481
Molecular FormulaC17H14F5N3O2
Molecular Weight387.31 g/mol
Exact Mass387.10
IUPAC Name1-[3-(3,5-difluorophenyl)pyrazolo[1,5-a]pyridin-2-yl]ethanamine;2,2,2-trifluoroacetic acid
SMILESCC(N)c1nn2ccccc2c1-c1cc(F)cc(F)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H13F2N3.C2HF3O2/c1-9(18)15-14(10-6-11(16)8-12(17)7-10)13-4-2-3-5-20(13)19-15;3-2(4,5)1(6)7/h2-9H,18H2,1H3;(H,6,7)
InChIKeySBIGWVWBDNFEKD-UHFFFAOYSA-N
XLogP3.93
TPSA80.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.31
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-difluorophenyl)pyrazolo[1,5-a]pyridin-2-yl]ethanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-[3-(3,5-difluorophenyl)pyrazolo[1,5-a]pyridin-2-yl]ethanamine;2,2,2-trifluoroacetic acid (CID 67248481) is 1-[3-(3,5-difluorophenyl)pyrazolo[1,5-a]pyridin-2-yl]ethanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-[3-(3,5-difluorophenyl)pyrazolo[1,5-a]pyridin-2-yl]ethanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-[3-(3,5-difluorophenyl)pyrazolo[1,5-a]pyridin-2-yl]ethanamine;2,2,2-trifluoroacetic acid is CC(N)c1nn2ccccc2c1-c1cc(F)cc(F)c1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-[3-(3,5-difluorophenyl)pyrazolo[1,5-a]pyridin-2-yl]ethanamine;2,2,2-trifluoroacetic acid?
The InChIKey is SBIGWVWBDNFEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3.C2HF3O2/c1-9(18)15-14(10-6-11(16)8-12(17)7-10)13-4-2-3-5-20(13)19-15;3-2(4,5)1(6)7/h2-9H,18H2,1H3;(H,6,7).
What are the key properties of 1-[3-(3,5-difluorophenyl)pyrazolo[1,5-a]pyridin-2-yl]ethanamine;2,2,2-trifluoroacetic acid?
1-[3-(3,5-difluorophenyl)pyrazolo[1,5-a]pyridin-2-yl]ethanamine;2,2,2-trifluoroacetic acid has a molecular weight of 387.31 g/mol, XLogP of 3.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-difluorophenyl)pyrazolo[1,5-a]pyridin-2-yl]ethanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 67248481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).