N-[3-fluoro-5-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine

C13H8F4N4 — CID 53374209

IUPACN-[3-fluoro-5-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESFc1cc(Nc2n[nH]c3cccnc23)cc(C(F)(F)F)c1
InChIInChI=1S/C13H8F4N4/c14-8-4-7(13(15,16)17)5-9(6-8)19-12-11-10(20-21-12)2-1-3-18-11/h1-6H,(H2,19,20,21)
InChIKeyWXNUDKBDIVACCS-UHFFFAOYSA-N
MW296.23 g/mol
LogP3.86
Rot. Bonds2

About N-[3-fluoro-5-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine

N-[3-fluoro-5-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine (PubChem CID 53374209) has the molecular formula C13H8F4N4 and a molecular weight of 296.23 g/mol. Its IUPAC name is N-[3-fluoro-5-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine.

Molecular Properties

Compound NameN-[3-fluoro-5-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine
PubChem CID53374209
Molecular FormulaC13H8F4N4
Molecular Weight296.23 g/mol
Exact Mass296.07
IUPAC NameN-[3-fluoro-5-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESFc1cc(Nc2n[nH]c3cccnc23)cc(C(F)(F)F)c1
InChIInChI=1S/C13H8F4N4/c14-8-4-7(13(15,16)17)5-9(6-8)19-12-11-10(20-21-12)2-1-3-18-11/h1-6H,(H2,19,20,21)
InChIKeyWXNUDKBDIVACCS-UHFFFAOYSA-N
XLogP3.86
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.23
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-5-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The IUPAC name of N-[3-fluoro-5-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine (CID 53374209) is N-[3-fluoro-5-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine.
What is the SMILES notation for N-[3-fluoro-5-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The canonical SMILES for N-[3-fluoro-5-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine is Fc1cc(Nc2n[nH]c3cccnc23)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-fluoro-5-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The InChIKey is WXNUDKBDIVACCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F4N4/c14-8-4-7(13(15,16)17)5-9(6-8)19-12-11-10(20-21-12)2-1-3-18-11/h1-6H,(H2,19,20,21).
What are the key properties of N-[3-fluoro-5-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
N-[3-fluoro-5-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine has a molecular weight of 296.23 g/mol, XLogP of 3.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-5-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine is sourced from PubChem (CID 53374209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).