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

C12H7F3N4 — CID 53374400

IUPACN-(3,4,5-trifluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESFc1cc(Nc2n[nH]c3cccnc23)cc(F)c1F
InChIInChI=1S/C12H7F3N4/c13-7-4-6(5-8(14)10(7)15)17-12-11-9(18-19-12)2-1-3-16-11/h1-5H,(H2,17,18,19)
InChIKeyXNQUJXWNCWGVRX-UHFFFAOYSA-N
MW264.21 g/mol
LogP3.12
Rot. Bonds2

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

N-(3,4,5-trifluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine (PubChem CID 53374400) has the molecular formula C12H7F3N4 and a molecular weight of 264.21 g/mol. Its IUPAC name is N-(3,4,5-trifluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine.

Molecular Properties

Compound NameN-(3,4,5-trifluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine
PubChem CID53374400
Molecular FormulaC12H7F3N4
Molecular Weight264.21 g/mol
Exact Mass264.06
IUPAC NameN-(3,4,5-trifluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESFc1cc(Nc2n[nH]c3cccnc23)cc(F)c1F
InChIInChI=1S/C12H7F3N4/c13-7-4-6(5-8(14)10(7)15)17-12-11-9(18-19-12)2-1-3-16-11/h1-5H,(H2,17,18,19)
InChIKeyXNQUJXWNCWGVRX-UHFFFAOYSA-N
XLogP3.12
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze N-(3,4,5-trifluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3,4,5-trifluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine?
The IUPAC name of N-(3,4,5-trifluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine (CID 53374400) is N-(3,4,5-trifluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine.
What is the SMILES notation for N-(3,4,5-trifluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine?
The canonical SMILES for N-(3,4,5-trifluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine is Fc1cc(Nc2n[nH]c3cccnc23)cc(F)c1F.
What is the InChIKey of N-(3,4,5-trifluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine?
The InChIKey is XNQUJXWNCWGVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N4/c13-7-4-6(5-8(14)10(7)15)17-12-11-9(18-19-12)2-1-3-16-11/h1-5H,(H2,17,18,19).
What are the key properties of N-(3,4,5-trifluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine?
N-(3,4,5-trifluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine has a molecular weight of 264.21 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4,5-trifluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine is sourced from PubChem (CID 53374400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).